ChemSpider 2D Image | 2-Chloro-4-({(1S,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl}amino)-3-methylbenzonitrile | C20H16ClN5O2

2-Chloro-4-({(1S,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl}amino)-3-methylbenzonitrile

  • Molecular FormulaC20H16ClN5O2
  • Average mass393.826 Da
  • Monoisotopic mass393.099243 Da
  • ChemSpider ID95498207

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Chlor-4-({(1S,2S)-1-[5-(4-cyanphenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl}amino)-3-methylbenzonitril [German] [ACD/IUPAC Name]
2-Chloro-4-({(1S,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl}amino)-3-methylbenzonitrile [ACD/IUPAC Name]
2-Chloro-4-({(1S,2S)-1-[5-(4-cyanophényl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl}amino)-3-méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-chloro-4-[[(1S,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 369.7±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.69
ACD/KOC (pH 5.5): 931.32
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.69
ACD/KOC (pH 7.4): 931.32
Polar Surface Area: 119 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 278.4±5.0 cm3

Click to predict properties on the Chemicalize site


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