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

N-(4-Fluorobenzyl)-4-(4-fluorophenyl)-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 ID21909459

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, 4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-7,8,9,10-tetrahydro- [ACD/Index Name]
N-(4-Fluorbenzyl)-4-(4-fluorphenyl)-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-(4-Fluorobenzyl)-4-(4-fluorophenyl)-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-(4-Fluorobenzyl)-4-(4-fluorophényl)-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

Density: 1.4±0.1 g/cm3
Boiling Point: 654.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10113.60
ACD/KOC (pH 5.5): 25603.59
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10113.58
ACD/KOC (pH 7.4): 25603.54
Polar Surface Area: 66 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 355.6±7.0 cm3

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