ChemSpider 2D Image | Ethyl 4-{4-[2-({2-[4-(cyclopropylsulfonyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)propanoyl}amino)-1,3-thiazol-5-yl]-1H-1,2,3-triazol-1-yl}butanoate | C28H35N5O6S2

Ethyl 4-{4-[2-({2-[4-(cyclopropylsulfonyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)propanoyl}amino)-1,3-thiazol-5-yl]-1H-1,2,3-triazol-1-yl}butanoate

  • Molecular FormulaC28H35N5O6S2
  • Average mass601.737 Da
  • Monoisotopic mass601.202881 Da
  • ChemSpider ID34225288

More details:

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

1H-1,2,3-Triazole-1-butanoic acid, 4-[2-[[2-[4-(cyclopropylsulfonyl)phenyl]-1-oxo-3-(tetrahydro-2H-pyran-4-yl)propyl]amino]-5-thiazolyl]-, ethyl ester [ACD/Index Name]
4-{4-[2-({2-[4-(Cyclopropylsulfonyl)phényl]-3-(tétrahydro-2H-pyran-4-yl)propanoyl}amino)-1,3-thiazol-5-yl]-1H-1,2,3-triazol-1-yl}butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[2-({2-[4-(cyclopropylsulfonyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)propanoyl}amino)-1,3-thiazol-5-yl]-1H-1,2,3-triazol-1-yl}butanoate [ACD/IUPAC Name]
Ethyl-4-{4-[2-({2-[4-(cyclopropylsulfonyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)propanoyl}amino)-1,3-thiazol-5-yl]-1H-1,2,3-triazol-1-yl}butanoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 156.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 54.06
ACD/KOC (pH 5.5): 605.00
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 46.40
ACD/KOC (pH 7.4): 519.21
Polar Surface Area: 179 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 411.0±7.0 cm3

Click to predict properties on the Chemicalize site


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