ChemSpider 2D Image | 2-({[7-Chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}amino)succinate | C30H29ClN2O7

2-({[7-Chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}amino)succinate

  • Molecular FormulaC30H29ClN2O7
  • Average mass565.015 Da
  • Monoisotopic mass564.167419 Da
  • ChemSpider ID24814264

  • Charge - Charge

More details:

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

2-({[7-Chlor-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}amino)succinat [German] [ACD/IUPAC Name]
2-({[7-Chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}amino)succinate [ACD/IUPAC Name]
2-({2-[7-Chloro-1-(2,2-diméthylpropyl)-5-(1-naphtyl)-2-oxo-1,2,3,5-tétrahydro-4,1-benzoxazépin-3-yl]acétyl}amino)succinate [French] [ACD/IUPAC Name]
Aspartic acid, N-[2-[7-chloro-1-(2,2-dimethylpropyl)-1,2,3,5-tetrahydro-5-(1-naphthalenyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-, ion(2-) [ACD/Index Name]
ZINC03872156

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

Density:
Boiling Point: 826.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability:
Surface Tension:
Molar Volume:

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