ChemSpider 2D Image | Methyl 4-({2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C30H41N3O5

Methyl 4-({2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID12280798

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrrole-2-carboxylic acid, 4-[[1-[3-(diethylamino)propyl]-2-[4-(1,1-dimethylethyl)phenyl]-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-3-yl]carbonyl]-3,5-dimethyl-, methyl ester [ACD/Index Name]
4-({1-[3-(Diéthylamino)propyl]-4-hydroxy-2-[4-(2-méthyl-2-propanyl)phényl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-diméthyl-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-2-[4-(2-methyl-2-propanyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl 4-({2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Methyl-4-({1-[3-(diethylamino)propyl]-4-hydroxy-2-[4-(2-methyl-2-propanyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
4-[2-(4-tert-Butyl-phenyl)-1-(3-diethylamino-propyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester
797795-05-2 [RN]
AC1MNBBW
AGN-PC-05EBKO
methyl 4-({1-[3-(diethylamino)propyl]-2-[4-(tert-butyl)phenyl]-4-hydroxy-5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 7.73
ACD/KOC (pH 5.5): 28.73
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 8.28
ACD/KOC (pH 7.4): 30.76
Polar Surface Area: 103 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 446.6±3.0 cm3

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