ChemSpider 2D Image | (4S)-3-[(4-Cyclohexyl-1-ethoxy-4-piperidinyl)methyl]-4-(2-hydroxyphenyl)-1-(isopropylsulfonyl)-4-methyl-2-imidazolidinone | C27H43N3O5S

(4S)-3-[(4-Cyclohexyl-1-ethoxy-4-piperidinyl)methyl]-4-(2-hydroxyphenyl)-1-(isopropylsulfonyl)-4-methyl-2-imidazolidinone

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID62537555

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-3-[(4-Cyclohexyl-1-ethoxy-4-piperidinyl)methyl]-4-(2-hydroxyphenyl)-1-(isopropylsulfonyl)-4-methyl-2-imidazolidinon [German] [ACD/IUPAC Name]
(4S)-3-[(4-Cyclohexyl-1-ethoxy-4-piperidinyl)methyl]-4-(2-hydroxyphenyl)-1-(isopropylsulfonyl)-4-methyl-2-imidazolidinone [ACD/IUPAC Name]
(4S)-3-[(4-Cyclohexyl-1-éthoxy-4-pipéridinyl)méthyl]-4-(2-hydroxyphényl)-1-(isopropylsulfonyl)-4-méthyl-2-imidazolidinone [French] [ACD/IUPAC Name]
2-Imidazolidinone, 3-[(4-cyclohexyl-1-ethoxy-4-piperidinyl)methyl]-4-(2-hydroxyphenyl)-4-methyl-1-[(1-methylethyl)sulfonyl]-, (4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 623.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 330.6±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.62
ACD/KOC (pH 5.5): 1839.95
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 269.37
ACD/KOC (pH 7.4): 1909.06
Polar Surface Area: 99 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 415.9±5.0 cm3

Click to predict properties on the Chemicalize site


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