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

4-(3,5-Difluorophenyl)-N-(2-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 ID22989089

More details:

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

4-(3,5-Difluorophenyl)-N-(2-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]
4-(3,5-Difluorophényl)-N-(2-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]
4-(3,5-Difluorphenyl)-N-(2-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]
4H-[1]Benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide, 4-(3,5-difluorophenyl)-7,8,9,10-tetrahydro-N-(2-methylphenyl)- [ACD/Index 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: 689.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±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: 6.78
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24336.66
ACD/KOC (pH 5.5): 48002.98
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24336.96
ACD/KOC (pH 7.4): 48003.56
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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