ChemSpider 2D Image | 2-{[4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(2,6-dichlorobenzyl)-1,3-thiazol-2-yl]acetamide | C25H23Cl2N5O3S2

2-{[4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(2,6-dichlorobenzyl)-1,3-thiazol-2-yl]acetamide

  • Molecular FormulaC25H23Cl2N5O3S2
  • Average mass576.518 Da
  • Monoisotopic mass575.061951 Da
  • ChemSpider ID1309995

More details:

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

2-{[4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(2,6-dichlorbenzyl)-1,3-thiazol-2-yl]acetamid [German] [ACD/IUPAC Name]
2-{[4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(2,6-dichlorobenzyl)-1,3-thiazol-2-yl]acetamide [ACD/IUPAC Name]
2-{[4-Allyl-5-(3,4-diméthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(2,6-dichlorobenzyl)-1,3-thiazol-2-yl]acétamide [French] [ACD/IUPAC Name]
Acetamide, N-[5-[(2,6-dichlorophenyl)methyl]-2-thiazolyl]-2-[[5-(3,4-dimethoxyphenyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
780817-62-1 [RN]
N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
N-{5-[(2,6-dichlorophenyl)methyl](1,3-thiazol-2-yl)}-2-[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]acetamide

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: 1.671
Molar Refractivity: 151.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19804.65
ACD/KOC (pH 5.5): 41245.40
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 9397.91
ACD/KOC (pH 7.4): 19572.21
Polar Surface Area: 145 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 405.3±7.0 cm3

Click to predict properties on the Chemicalize site


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