ChemSpider 2D Image | 2,4-Dichloro-N-(1-{4-ethyl-5-[(2-{[3-(4-morpholinylcarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-3-methylbutyl)benzamide | C29H34Cl2N6O4S

2,4-Dichloro-N-(1-{4-ethyl-5-[(2-{[3-(4-morpholinylcarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-3-methylbutyl)benzamide

  • Molecular FormulaC29H34Cl2N6O4S
  • Average mass633.589 Da
  • Monoisotopic mass632.173950 Da
  • ChemSpider ID79893122

More details:

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

2,4-Dichlor-N-(1-{4-ethyl-5-[(2-{[3-(4-morpholinylcarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-3-methylbutyl)benzamid [German] [ACD/IUPAC Name]
2,4-Dichloro-N-(1-{4-ethyl-5-[(2-{[3-(4-morpholinylcarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-3-methylbutyl)benzamide [ACD/IUPAC Name]
2,4-Dichloro-N-(1-{4-éthyl-5-[(2-{[3-(4-morpholinylcarbonyl)phényl]amino}-2-oxoéthyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-3-méthylbutyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2,4-dichloro-N-[1-[4-ethyl-5-[[2-[[3-(4-morpholinylcarbonyl)phenyl]amino]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]-3-methylbutyl]- [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: 1.655
Molar Refractivity: 166.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 809.63
ACD/KOC (pH 5.5): 4200.93
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 809.63
ACD/KOC (pH 7.4): 4200.93
Polar Surface Area: 144 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 453.7±7.0 cm3

Click to predict properties on the Chemicalize site


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