ChemSpider 2D Image | N-{2-[5-({2-[(2-Methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide | C30H24N6O4S

N-{2-[5-({2-[(2-Methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide

  • Molecular FormulaC30H24N6O4S
  • Average mass564.614 Da
  • Monoisotopic mass564.157959 Da
  • ChemSpider ID2389906

More details:

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

Benzamide, N-[2-[5-[[2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]phenyl]- [ACD/Index Name]
N-{2-[5-({2-[(2-Methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenyl}benzamid [German] [ACD/IUPAC Name]
N-{2-[5-({2-[(2-Methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide [ACD/IUPAC Name]
N-{2-[5-({2-[(2-Méthyl-5-nitrophényl)amino]-2-oxoéthyl}sulfanyl)-4-phényl-4H-1,2,4-triazol-3-yl]phényl}benzamide [French] [ACD/IUPAC Name]

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

BAS 02069901 [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: 1.693
Molar Refractivity: 159.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17098.89
ACD/KOC (pH 5.5): 37285.90
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17098.42
ACD/KOC (pH 7.4): 37284.88
Polar Surface Area: 160 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 415.3±7.0 cm3

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