ChemSpider 2D Image | N-(2-Chloro-4-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-(2-isopropylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide | C26H23Cl2N5O3S

N-(2-Chloro-4-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-(2-isopropylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide

  • Molecular FormulaC26H23Cl2N5O3S
  • Average mass556.464 Da
  • Monoisotopic mass555.089844 Da
  • ChemSpider ID3296207

More details:

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

N-(2-Chlor-4-nitrophenyl)-2-{[5-(4-chlorphenyl)-4-(2-isopropylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
N-(2-Chloro-4-nitrophenyl)-2-{[5-(4-chlorophenyl)-4-(2-isopropylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide [ACD/IUPAC Name]
N-(2-Chloro-4-nitrophényl)-2-{[5-(4-chlorophényl)-4-(2-isopropylphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(2-chloro-4-nitrophenyl)-2-[[5-(4-chlorophenyl)-4-[2-(1-methylethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.38
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82345.14
ACD/KOC (pH 5.5): 114866.29
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82321.82
ACD/KOC (pH 7.4): 114833.75
Polar Surface Area: 131 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 394.6±7.0 cm3

Click to predict properties on the Chemicalize site


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