ChemSpider 2D Image | Ethyl 2-{[({5-[(2-biphenylyloxy)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate | C29H32N4O5S2

Ethyl 2-{[({5-[(2-biphenylyloxy)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID3782845

More details:

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

2-{[2-({5-[(2-Biphénylyloxy)méthyl]-4-(2-méthoxyéthyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]amino}-4,5-diméthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-[[5-[([1,1'-biphenyl]-2-yloxy)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethyl-, ethyl ester [ACD/Index Name]
Ethyl 2-{[({5-[(2-biphenylyloxy)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[({5-[(2-biphenylyloxy)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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: 1.630
Molar Refractivity: 159.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14684.47
ACD/KOC (pH 5.5): 33436.66
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14684.42
ACD/KOC (pH 7.4): 33436.55
Polar Surface Area: 158 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 449.1±7.0 cm3

Click to predict properties on the Chemicalize site


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