ChemSpider 2D Image | 2-Methyl-2-propanyl [(2R)-3-(3,4-dichlorophenyl)-1-{[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]amino}-1-oxo-2-propanyl]carbamate | C30H30Cl2N4O4

2-Methyl-2-propanyl [(2R)-3-(3,4-dichlorophenyl)-1-{[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]amino}-1-oxo-2-propanyl]carbamate

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID23147362

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2R)-3-(3,4-Dichlorophényl)-1-{[(3S)-1-méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]amino}-1-oxo-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2R)-3-(3,4-dichlorophenyl)-1-{[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]amino}-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2R)-3-(3,4-dichlorphenyl)-1-{[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]amino}-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-[(3,4-dichlorophenyl)methyl]-2-[[(3S)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]amino]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[(R)-2-(3,4-Dichloro-phenyl)-1-((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL300420/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 807.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 441.9±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 156.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9288.45
ACD/KOC (pH 5.5): 24082.31
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9293.75
ACD/KOC (pH 7.4): 24096.06
Polar Surface Area: 100 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 444.4±7.0 cm3

Click to predict properties on the Chemicalize site


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