ChemSpider 2D Image | N-(1-{5-[(2-Amino-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide | C16H21N5O3S

N-(1-{5-[(2-Amino-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide

  • Molecular FormulaC16H21N5O3S
  • Average mass363.435 Da
  • Monoisotopic mass363.136505 Da
  • ChemSpider ID21116847

More details:

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

Benzamide, N-[1-[5-[(2-amino-2-oxoethyl)thio]-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl]-4-methoxy- [ACD/Index Name]
N-(1-{5-[(2-Amino-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-(1-{5-[(2-Amino-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide [ACD/IUPAC Name]
N-(1-{5-[(2-Amino-2-oxoéthyl)sulfanyl]-4-éthyl-4H-1,2,4-triazol-3-yl}éthyl)-4-méthoxybenzamide [French] [ACD/IUPAC Name]
N-(1-{5-[(2-amino-2-oxoethyl)thio]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide
N-(1-{5-[(carbamoylmethyl)sulfanyl]-4-ethyl-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide
N-(1-{5-[(carbamoylmethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide

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: 1.641
Molar Refractivity: 96.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 67.01
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 67.02
Polar Surface Area: 137 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 267.8±7.0 cm3

Click to predict properties on the Chemicalize site


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