ChemSpider 2D Image | N-(2,4-Difluorophenyl)-4-(4-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide | C28H25F2N3OS

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

  • Molecular FormulaC28H25F2N3OS
  • Average mass489.579 Da
  • Monoisotopic mass489.168640 Da
  • ChemSpider ID22989074

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-(2,4-difluorophenyl)-7,8,9,10-tetrahydro-4-(4-methylphenyl)- [ACD/Index Name]
N-(2,4-Difluorophenyl)-4-(4-methylphenyl)-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-(2,4-Difluorophényl)-4-(4-méthylphényl)-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]
N-(2,4-Difluorphenyl)-4-(4-methylphenyl)-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]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.3±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18956.00
ACD/KOC (pH 5.5): 40141.65
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18931.56
ACD/KOC (pH 7.4): 40089.90
Polar Surface Area: 66 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 354.7±7.0 cm3

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