ChemSpider 2D Image | [(7S)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | C23H23ClN6O2

[(7S)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

  • Molecular FormulaC23H23ClN6O2
  • Average mass450.921 Da
  • Monoisotopic mass450.157104 Da
  • ChemSpider ID67868631

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(7S)-4-(5-Chlor-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanon [German] [ACD/IUPAC Name]
[(7S)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone [ACD/IUPAC Name]
[(7S)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-méthyl-1,4-diazépan-1-yl][5-méthyl-2-(2H-1,2,3-triazol-2-yl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(7S)-4-(5-chloro-2-benzoxazolyl)hexahydro-7-methyl-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]- [ACD/Index Name]
(S)-(4-(5-chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.9±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.16
ACD/KOC (pH 5.5): 1572.48
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.19
ACD/KOC (pH 7.4): 1572.71
Polar Surface Area: 80 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 317.8±7.0 cm3

Click to predict properties on the Chemicalize site


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