ChemSpider 2D Image | N-(3,4-Dimethoxyphenyl)-4-(4-isopropylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide | C32H35N3O3S

N-(3,4-Dimethoxyphenyl)-4-(4-isopropylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

  • Molecular FormulaC32H35N3O3S
  • Average mass541.704 Da
  • Monoisotopic mass541.239929 Da
  • ChemSpider ID20404890

More details:

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

4H-[1]Benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide, N-(3,4-dimethoxyphenyl)-7,8,9,10-tetrahydro-4-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
N-(3,4-Dimethoxyphenyl)-4-(4-isopropylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-carboxamid [German] [ACD/IUPAC Name]
N-(3,4-Dimethoxyphenyl)-4-(4-isopropylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide [ACD/IUPAC Name]
N-(3,4-Diméthoxyphényl)-4-(4-isopropylphényl)-7,8,9,10-tétrahydro-4H-[1]benzothiéno[3,2-f]pyrrolo[1,2-a][1,4]diazépine-5(6H)-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 746.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.3±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51291.49
ACD/KOC (pH 5.5): 81852.07
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51286.71
ACD/KOC (pH 7.4): 81844.43
Polar Surface Area: 84 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 423.4±7.0 cm3

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