ChemSpider 2D Image | [(2-{[Cyclohexyl(trans-4-propoxycyclohexyl)carbamoyl]amino}-1,3-thiazol-5-yl)sulfanyl]acetic acid | C21H33N3O4S2

[(2-{[Cyclohexyl(trans-4-propoxycyclohexyl)carbamoyl]amino}-1,3-thiazol-5-yl)sulfanyl]acetic acid

  • Molecular FormulaC21H33N3O4S2
  • Average mass455.634 Da
  • Monoisotopic mass455.191254 Da
  • ChemSpider ID123963152

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2-{[Cyclohexyl(trans-4-propoxycyclohexyl)carbamoyl]amino}-1,3-thiazol-5-yl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(2-{[Cyclohexyl(trans-4-propoxycyclohexyl)carbamoyl]amino}-1,3-thiazol-5-yl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[[cyclohexyl(trans-4-propoxycyclohexyl)amino]carbonyl]amino]-5-thiazolyl]thio]- [ACD/Index Name]
Acide [(2-{[cyclohexyl(trans-4-propoxycyclohexyl)carbamoyl]amino}-1,3-thiazol-5-yl)sulfanyl]acétique [French] [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: 1.595
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 5.63
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


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