ChemSpider 2D Image | 6-{4-[(2-Biphenylylcarbonyl)amino]benzoyl}-N-cyclopropyl-5,6-dihydro-4H-thieno[3,2-d][1]benzazepine-2-carboxamide | C36H29N3O3S

6-{4-[(2-Biphenylylcarbonyl)amino]benzoyl}-N-cyclopropyl-5,6-dihydro-4H-thieno[3,2-d][1]benzazepine-2-carboxamide

  • Molecular FormulaC36H29N3O3S
  • Average mass583.699 Da
  • Monoisotopic mass583.192932 Da
  • ChemSpider ID4442139

More details:

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

4H-Thieno[3,2-d][1]benzazepine-2-carboxamide, 6-[4-[([1,1'-biphenyl]-2-ylcarbonyl)amino]benzoyl]-N-cyclopropyl-5,6-dihydro- [ACD/Index Name]
6-{4-[(2-Biphenylylcarbonyl)amino]benzoyl}-N-cyclopropyl-5,6-dihydro-4H-thieno[3,2-d][1]benzazepin-2-carboxamid [German] [ACD/IUPAC Name]
6-{4-[(2-Biphenylylcarbonyl)amino]benzoyl}-N-cyclopropyl-5,6-dihydro-4H-thieno[3,2-d][1]benzazepine-2-carboxamide [ACD/IUPAC Name]
6-{4-[(2-Biphénylylcarbonyl)amino]benzoyl}-N-cyclopropyl-5,6-dihydro-4H-thiéno[3,2-d][1]benzazépine-2-carboxamide [French] [ACD/IUPAC Name]
851331-05-0 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4471694/
N-cyclopropyl-6-[4-[(2-phenylbenzoyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
YM-53403

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

AIDS280177 [DBID]
AIDS-280177 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.3±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 168.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11479.61
ACD/KOC (pH 5.5): 28033.95
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11478.23
ACD/KOC (pH 7.4): 28030.60
Polar Surface Area: 107 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 419.7±5.0 cm3

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