ChemSpider 2D Image | 2-{[4-Allyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide | C24H25Cl2N5O3S

2-{[4-Allyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide

  • Molecular FormulaC24H25Cl2N5O3S
  • Average mass534.458 Da
  • Monoisotopic mass533.105530 Da
  • ChemSpider ID2774783

More details:

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

2-{[4-Allyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide [ACD/IUPAC Name]
2-{[4-Allyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[4-Allyl-5-(1-{[2-(4-méthoxyphényl)acétyl]amino}éthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophényl)acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[1-[5-[[2-[(3,4-dichlorophenyl)amino]-2-oxoethyl]thio]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]ethyl]-4-methoxy- [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: 1.636
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3455.09
ACD/KOC (pH 5.5): 11869.16
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3454.87
ACD/KOC (pH 7.4): 11868.38
Polar Surface Area: 123 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 394.1±7.0 cm3

Click to predict properties on the Chemicalize site


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