ChemSpider 2D Image | 4-[4-(Dimethylamino)phenyl]-N-(2-ethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide | C31H34N4O2S

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

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID22989023

More details:

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

4-[4-(Dimethylamino)phenyl]-N-(2-ethoxyphenyl)-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]
4-[4-(Dimethylamino)phenyl]-N-(2-ethoxyphenyl)-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-[4-(Diméthylamino)phényl]-N-(2-éthoxyphényl)-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]
4H-[1]Benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide, 4-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-7,8,9,10-tetrahydro- [ACD/Index 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: 764.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 415.9±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 11799.46
ACD/KOC (pH 5.5): 22846.97
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 25580.27
ACD/KOC (pH 7.4): 49530.35
Polar Surface Area: 78 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 412.6±7.0 cm3

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