ChemSpider 2D Image | 2-[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(5-chloro-2-methoxybenzyl)-N-ethylacetamide | C14H18ClN5O2S

2-[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(5-chloro-2-methoxybenzyl)-N-ethylacetamide

  • Molecular FormulaC14H18ClN5O2S
  • Average mass355.843 Da
  • Monoisotopic mass355.086975 Da
  • ChemSpider ID29590459

More details:

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

2-[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(5-chlor-2-methoxybenzyl)-N-ethylacetamid [German] [ACD/IUPAC Name]
2-[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(5-chloro-2-methoxybenzyl)-N-ethylacetamide [ACD/IUPAC Name]
2-[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(5-chloro-2-méthoxybenzyl)-N-éthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(3-amino-1H-1,2,4-triazol-5-yl)thio]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl- [ACD/Index Name]
2-[(3-amino-1H-1,2,4-triazol-5-yl)thio]-N-(5-chloro-2-methoxybenzyl)-N-ethylacetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.97
ACD/KOC (pH 5.5): 415.08
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 32.01
ACD/KOC (pH 7.4): 415.62
Polar Surface Area: 122 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 251.2±5.0 cm3

Click to predict properties on the Chemicalize site


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