ChemSpider 2D Image | N-{2-[(4-Chlorobenzyl)amino]-2-oxoethyl}-1-(4-chlorophenyl)-N-ethyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide | C24H22Cl2N4O2S

N-{2-[(4-Chlorobenzyl)amino]-2-oxoethyl}-1-(4-chlorophenyl)-N-ethyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID1579113

More details:






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

1H-Thieno[2,3-c]pyrazole-5-carboxamide, 1-(4-chlorophenyl)-N-[2-[[(4-chlorophenyl)methyl]amino]-2-oxoethyl]-N-ethyl-3-methyl- [ACD/Index Name]
N-{2-[(4-Chlorbenzyl)amino]-2-oxoethyl}-1-(4-chlorphenyl)-N-ethyl-3-methyl-1H-thieno[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-{2-[(4-Chlorobenzyl)amino]-2-oxoethyl}-1-(4-chlorophenyl)-N-ethyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
N-{2-[(4-Chlorobenzyl)amino]-2-oxoéthyl}-1-(4-chlorophényl)-N-éthyl-3-méthyl-1H-thiéno[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.9±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2837.11
ACD/KOC (pH 5.5): 10307.74
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2837.11
ACD/KOC (pH 7.4): 10307.75
Polar Surface Area: 95 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 361.5±7.0 cm3

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