ChemSpider 2D Image | NS5818 | C23H19Cl2N7O2

NS5818

  • Molecular FormulaC23H19Cl2N7O2
  • Average mass496.349 Da
  • Monoisotopic mass495.097717 Da
  • ChemSpider ID34980926

More details:






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

[1,1'-Biphenyl]-4-carboxamide, 4'-[[(1E)-[(3,5-dichlorophenyl)amino]hydroxymethylene]amino]-N,N-dimethyl-2'-(2H-tetrazol-5-yl)- [ACD/Index Name]
Acide N-(3,5-dichlorophényl)-N'-[4'-(diméthylcarbamoyl)-2-(2H-tétrazol-5-yl)-4-biphénylyl]carbamimidique [French] [ACD/IUPAC Name]
N-(3,5-Dichlorophenyl)-N'-[4'-(dimethylcarbamoyl)-2-(2H-tetrazol-5-yl)-4-biphenylyl]carbamimidic acid [ACD/IUPAC Name]
N-(3,5-Dichlorphenyl)-N'-[4'-(dimethylcarbamoyl)-2-(2H-tetrazol-5-yl)-4-biphenylyl]carbamimidsäure [German] [ACD/IUPAC Name]
NS5818
4-[4-[(3,5-dichlorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
674299-39-9 [RN]
NS-5818

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 768.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.6±35.7 °C
Index of Refraction: 1.701
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 338.9±7.0 cm3

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