ChemSpider 2D Image | Diethyl 3-methyl-5-[({[4-methyl-5-({[4-(2-methyl-2-propanyl)benzoyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2,4-thiophenedicarboxylate | C28H35N5O6S2

Diethyl 3-methyl-5-[({[4-methyl-5-({[4-(2-methyl-2-propanyl)benzoyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2,4-thiophenedicarboxylate

  • Molecular FormulaC28H35N5O6S2
  • Average mass601.737 Da
  • Monoisotopic mass601.202881 Da
  • ChemSpider ID3332936

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[[5-[[[4-(1,1-dimethylethyl)benzoyl]amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
3-Méthyl-5-[(2-{[4-méthyl-5-({[4-(2-méthyl-2-propanyl)benzoyl]amino}méthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)amino]-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 3-methyl-5-[({[4-methyl-5-({[4-(2-methyl-2-propanyl)benzoyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-3-methyl-5-[({[4-methyl-5-({[4-(2-methyl-2-propanyl)benzoyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
diethyl 5-({[(5-{[(4-tert-butylbenzoyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)-3-methylthiophene-2,4-dicarboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 161.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10580.45
ACD/KOC (pH 5.5): 26443.88
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10580.06
ACD/KOC (pH 7.4): 26442.89
Polar Surface Area: 195 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 457.0±7.0 cm3

Click to predict properties on the Chemicalize site


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