ChemSpider 2D Image | N-[(3R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide | C25H20N4O2

N-[(3R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

  • Molecular FormulaC25H20N4O2
  • Average mass408.452 Da
  • Monoisotopic mass408.158630 Da
  • ChemSpider ID18604004

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-2-carboxamide, N-[(3R)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]- [ACD/Index Name]
N-[(3R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(3R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-[(3R)-1-Méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
103420-82-2 [RN]
1H-Indole-2-carboxamide,N-[(3R)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-
1H-Indole-2-carboxylic acid ((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL419764/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.6±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 152.75
ACD/KOC (pH 5.5): 1272.41
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.10
ACD/KOC (pH 7.4): 1275.27
Polar Surface Area: 78 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 310.8±7.0 cm3

Click to predict properties on the Chemicalize site


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