ChemSpider 2D Image | (1S,2R)-2-Cyclohexyl-1-[4-(cyclopropylsulfonyl)phenyl]-N-(5-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-thiazol-2-yl)cyclopropanecarboxamide | C28H37N3O3S3

(1S,2R)-2-Cyclohexyl-1-[4-(cyclopropylsulfonyl)phenyl]-N-(5-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-thiazol-2-yl)cyclopropanecarboxamide

  • Molecular FormulaC28H37N3O3S3
  • Average mass559.807 Da
  • Monoisotopic mass559.199707 Da
  • ChemSpider ID82966203

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-Cyclohexyl-1-[4-(cyclopropylsulfonyl)phenyl]-N-(5-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-thiazol-2-yl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
(1S,2R)-2-Cyclohexyl-1-[4-(cyclopropylsulfonyl)phenyl]-N-(5-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-thiazol-2-yl)cyclopropanecarboxamide [ACD/IUPAC Name]
(1S,2R)-2-Cyclohexyl-1-[4-(cyclopropylsulfonyl)phényl]-N-(5-{[2-(1-pyrrolidinyl)éthyl]sulfanyl}-1,3-thiazol-2-yl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, 2-cyclohexyl-1-[4-(cyclopropylsulfonyl)phenyl]-N-[5-[[2-(1-pyrrolidinyl)ethyl]thio]-2-thiazolyl]-, (1S,2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 10.94
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 26.57
ACD/KOC (pH 7.4): 90.09
Polar Surface Area: 141 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 411.7±5.0 cm3

Click to predict properties on the Chemicalize site


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