ChemSpider 2D Image | 1-[(3S)-5-Phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]-3-azetidinol | C22H19N3OS

1-[(3S)-5-Phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]-3-azetidinol

  • Molecular FormulaC22H19N3OS
  • Average mass373.471 Da
  • Monoisotopic mass373.124878 Da
  • ChemSpider ID25058572

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(3S)-5-Phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]-3-azetidinol [ACD/IUPAC Name]
1-[(3S)-5-Phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]-3-azetidinol [German] [ACD/IUPAC Name]
1-[(3S)-5-Phényl-3-(2-thiényl)-3H-1,4-benzodiazépin-2-yl]-3-azétidinol [French] [ACD/IUPAC Name]
1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL
3-Azetidinol, 1-[(3S)-5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]- [ACD/Index Name]
1-[(3S)-5-phenyl-3-(thiophen-2-yl)-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol
VGA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.8±32.9 °C
Index of Refraction: 1.728
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 30.47
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 58.25
ACD/KOC (pH 7.4): 574.60
Polar Surface Area: 76 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 276.0±7.0 cm3

Click to predict properties on the Chemicalize site


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