ChemSpider 2D Image | 2-Chloro-9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine | C15H11ClN4S

2-Chloro-9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

  • Molecular FormulaC15H11ClN4S
  • Average mass314.793 Da
  • Monoisotopic mass314.039307 Da
  • ChemSpider ID26602514

More details:

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

2-Chlor-9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin [German] [ACD/IUPAC Name]
2-Chloro-9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine [ACD/IUPAC Name]
2-Chloro-9-méthyl-4-phényl-6H-thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépine [French] [ACD/IUPAC Name]
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 2-chloro-9-methyl-4-phenyl- [ACD/Index Name]
1629324-97-5 [RN]
Deschloroclotizolam

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

Density: 1.5±0.1 g/cm3
Boiling Point: 523.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.3±32.9 °C
Index of Refraction: 1.775
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.70
ACD/KOC (pH 5.5): 458.62
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.73
ACD/KOC (pH 7.4): 459.06
Polar Surface Area: 71 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 207.9±7.0 cm3

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