ChemSpider 2D Image | 2-{4-Allyl-5-[(2-amino-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide | C17H21N5O2S

2-{4-Allyl-5-[(2-amino-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide

  • Molecular FormulaC17H21N5O2S
  • Average mass359.446 Da
  • Monoisotopic mass359.141602 Da
  • ChemSpider ID21116868

More details:

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

2-{4-Allyl-5-[(2-amino-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{4-Allyl-5-[(2-amino-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide [ACD/IUPAC Name]
2-{4-Allyl-5-[(2-amino-2-oxoéthyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-(3,4-diméthylphényl)acétamide [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-acetamide, 5-[(2-amino-2-oxoethyl)thio]-N-(3,4-dimethylphenyl)-4-(2-propen-1-yl)- [ACD/Index Name]
2-[(5-{[(3,4-dimethylphenyl)carbamoyl]methyl}-4-(prop-2-en-1-yl)-1,2,4-triazol-3-yl)sulfanyl]acetamide
2-[(5-{[(3,4-dimethylphenyl)carbamoyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
2-{4-allyl-5-[(2-amino-2-oxoethyl)thio]-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide
2-{5-[(2-amino-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.38
ACD/KOC (pH 5.5): 198.40
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.38
ACD/KOC (pH 7.4): 198.42
Polar Surface Area: 128 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

Click to predict properties on the Chemicalize site


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