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Search term: MF = 'C_{21}H_{31}N_{5}O_{3}S'
ChemSpider 2D Image | 2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-2-propanyl)propanamide | C21H31N5O3S

2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-2-propanyl)propanamide

  • Molecular FormulaC21H31N5O3S
  • Average mass433.568 Da
  • Monoisotopic mass433.214752 Da
  • ChemSpider ID21116987

More details:

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

2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-2-propanyl)propanamid [German] [ACD/IUPAC Name]
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-2-propanyl)propanamide [ACD/IUPAC Name]
2-{[4-Éthyl-5-({[2-(4-méthoxyphényl)acétyl]amino}méthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-méthyl-2-propanyl)propanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[[5-[[2-[(1,1-dimethylethyl)amino]-1-methyl-2-oxoethyl]thio]-4-ethyl-4H-1,2,4-triazol-3-yl]methyl]-4-methoxy- [ACD/Index Name]
N-(tert-butyl)-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
N-(tert-butyl)-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]thio}propanamide
N-tert-butyl-2-[(4-ethyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
N-tert-butyl-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 120.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.59
ACD/KOC (pH 5.5): 687.55
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.59
ACD/KOC (pH 7.4): 687.58
Polar Surface Area: 123 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

Click to predict properties on the Chemicalize site


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