ChemSpider 2D Image | N-{[4-Allyl-5-({2-[(2,5-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-(3,4-dimethoxyphenyl)acrylamide | C25H25Cl2N5O4S

N-{[4-Allyl-5-({2-[(2,5-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-(3,4-dimethoxyphenyl)acrylamide

  • Molecular FormulaC25H25Cl2N5O4S
  • Average mass562.468 Da
  • Monoisotopic mass561.100403 Da
  • ChemSpider ID3589382

More details:

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

2-Propenamide, N-[[5-[[2-[(2,5-dichlorophenyl)amino]-2-oxoethyl]thio]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)- [ACD/Index Name]
N-{[4-Allyl-5-({2-[(2,5-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-(3,4-dimethoxyphenyl)acrylamide [ACD/IUPAC Name]
N-{[4-Allyl-5-({2-[(2,5-dichlorophényl)amino]-2-oxoéthyl}sulfanyl)-4H-1,2,4-triazol-3-yl]méthyl}-3-(3,4-diméthoxyphényl)acrylamide [French] [ACD/IUPAC Name]
N-{[4-Allyl-5-({2-[(2,5-dichlorphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-(3,4-dimethoxyphenyl)acrylamid [German] [ACD/IUPAC 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: 1.625
Molar Refractivity: 147.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.84
ACD/KOC (pH 5.5): 2180.22
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.82
ACD/KOC (pH 7.4): 2180.03
Polar Surface Area: 133 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 416.6±7.0 cm3

Click to predict properties on the Chemicalize site


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