ChemSpider 2D Image | N-{4-[(5R)-3-Acetyl-1-(3,4-dichlorophenyl)-5-(2-thienyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-2-methylpropanamide | C24H22Cl2N4O2S

N-{4-[(5R)-3-Acetyl-1-(3,4-dichlorophenyl)-5-(2-thienyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-2-methylpropanamide

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID1417203

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{4-[(5R)-3-Acetyl-1-(3,4-dichlorophenyl)-5-(2-thienyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-2-methylpropanamide [ACD/IUPAC Name]
N-{4-[(5R)-3-Acétyl-1-(3,4-dichlorophényl)-5-(2-thiényl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phényl}-2-méthylpropanamide [French] [ACD/IUPAC Name]
N-{4-[(5R)-3-Acetyl-1-(3,4-dichlorphenyl)-5-(2-thienyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-2-methylpropanamid [German] [ACD/IUPAC Name]
Propanamide, N-[4-[(5R)-3-acetyl-1-(3,4-dichlorophenyl)-1,5-dihydro-5-(2-thienyl)-4H-1,2,4-triazol-4-yl]phenyl]-2-methyl- [ACD/Index Name]

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

ZINC02177925 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2015.11
ACD/KOC (pH 5.5): 8068.69
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2015.28
ACD/KOC (pH 7.4): 8069.37
Polar Surface Area: 93 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 360.6±7.0 cm3

Click to predict properties on the Chemicalize site


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