ChemSpider 2D Image | Benzyl 4-[({2,4-dioxo-5-phenyl-3-[(phenylcarbamoyl)amino]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}acetyl)(isopropyl)amino]benzoate | C41H37N5O6

Benzyl 4-[({2,4-dioxo-5-phenyl-3-[(phenylcarbamoyl)amino]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}acetyl)(isopropyl)amino]benzoate

  • Molecular FormulaC41H37N5O6
  • Average mass695.762 Da
  • Monoisotopic mass695.274414 Da
  • ChemSpider ID8708096

More details:

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

4-[(2-{2,4-Dioxo-5-phényl-3-[(phénylcarbamoyl)amino]-2,3,4,5-tétrahydro-1H-1,5-benzodiazépin-1-yl}acétyl)(isopropyl)amino]benzoate de benzyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1-methylethyl)[2-[2,3,4,5-tetrahydro-2,4-dioxo-5-phenyl-3-[[(phenylamino)carbonyl]amino]-1H-1,5-benzodiazepin-1-yl]acetyl]amino]-, phenylmethyl ester [ACD/Index Name]
Benzyl 4-[({2,4-dioxo-5-phenyl-3-[(phenylcarbamoyl)amino]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}acetyl)(isopropyl)amino]benzoate [ACD/IUPAC Name]
Benzyl-4-[({2,4-dioxo-5-phenyl-3-[(phenylcarbamoyl)amino]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}acetyl)(isopropyl)amino]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 936.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 520.0±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 195.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8627.64
ACD/KOC (pH 5.5): 22845.11
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8072.71
ACD/KOC (pH 7.4): 21375.70
Polar Surface Area: 128 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 509.8±5.0 cm3

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