Found 17 results

Search term: MF = 'C_{27}H_{33}N_{3}OS_{2}'
ChemSpider 2D Image | N-(3-Methylbutyl)-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide | C27H33N3OS2

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

  • Molecular FormulaC27H33N3OS2
  • Average mass479.700 Da
  • Monoisotopic mass479.206512 Da
  • ChemSpider ID21909491

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, 7,8,9,10-tetrahydro-N-(3-methylbutyl)-4-[4-(methylthio)phenyl]- [ACD/Index Name]
N-(3-Methylbutyl)-4-[4-(methylsulfanyl)phenyl]-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-Methylbutyl)-4-[4-(methylsulfanyl)phenyl]-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-Méthylbutyl)-4-[4-(méthylsulfanyl)phényl]-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-(3-methylbutyl)-4-[4-(methylthio)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.3±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65664.82
ACD/KOC (pH 5.5): 97684.95
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 65664.60
ACD/KOC (pH 7.4): 97684.63
Polar Surface Area: 91 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 374.2±7.0 cm3

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