ChemSpider 2D Image | 4-(4-Hydroxy-1-piperidinyl)-2-[(1-{[1-(2-methoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-oxobutanoic acid | C29H39N3O8

4-(4-Hydroxy-1-piperidinyl)-2-[(1-{[1-(2-methoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-oxobutanoic acid

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID9459353

More details:

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

1H-1-Benzazepine-1-acetic acid, 3-[[[1-[2-carboxy-4-(4-hydroxy-1-piperidinyl)-4-oxobutyl]cyclopentyl]carbonyl]amino]-2,3,4,5-tetrahydro-2-oxo-, α-methyl ester [ACD/Index Name]
4-(4-Hydroxy-1-piperidinyl)-2-[(1-{[1-(2-methoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-(4-Hydroxy-1-piperidinyl)-2-[(1-{[1-(2-methoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-(4-hydroxy-1-pipéridinyl)-2-[(1-{[1-(2-méthoxy-2-oxoéthyl)-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]carbamoyl}cyclopentyl)méthyl]-4-oxobutanoïque [French] [ACD/IUPAC 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: 886.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.9±3.0 kJ/mol
Flash Point: 489.7±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 38.74
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 414.9±5.0 cm3

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