ChemSpider 2D Image | N-{[5-({1-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-1-oxo-2-propanyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide | C21H24N6O4S2

N-{[5-({1-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-1-oxo-2-propanyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC21H24N6O4S2
  • Average mass488.583 Da
  • Monoisotopic mass488.130035 Da
  • ChemSpider ID21117092

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[[5-[[2-[(4,5-dimethyl-2-thiazolyl)amino]-1-methyl-2-oxoethyl]thio]-4-ethyl-4H-1,2,4-triazol-3-yl]methyl]- [ACD/Index Name]
N-{[5-({1-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-1-oxo-2-propanyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-{[5-({1-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-1-oxo-2-propanyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-{[5-({1-[(4,5-Diméthyl-1,3-thiazol-2-yl)amino]-1-oxo-2-propanyl}sulfanyl)-4-éthyl-4H-1,2,4-triazol-3-yl]méthyl}-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
N-{[5-({1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
N-{[5-({1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]ethyl}sulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[5-({1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]ethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[5-({2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-methyl-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 127.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.73
ACD/KOC (pH 5.5): 542.60
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 26.48
ACD/KOC (pH 7.4): 307.47
Polar Surface Area: 174 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 323.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement