ChemSpider 2D Image | Ethyl {4-[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]-1-piperazinyl}acetate | C29H37N5O6S2

Ethyl {4-[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]-1-piperazinyl}acetate

  • Molecular FormulaC29H37N5O6S2
  • Average mass615.764 Da
  • Monoisotopic mass615.218506 Da
  • ChemSpider ID9731076

More details:

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

{4-[(4-{3-Cyclopentyl-1-[(5-méthoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phényl)sulfonyl]-1-pipérazinyl}acétate d'éthyle [French] [ACD/IUPAC Name]
1-Piperazineacetic acid, 4-[[4-[1-(cyclopentylmethyl)-2-[(5-methoxythiazolo[5,4-b]pyridin-2-yl)amino]-2-oxoethyl]phenyl]sulfonyl]-, ethyl ester [ACD/Index Name]
Ethyl {4-[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]-1-piperazinyl}acetate [ACD/IUPAC Name]
Ethyl-{4-[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]-1-piperazinyl}acetat [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: 1.619
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1747.43
ACD/KOC (pH 5.5): 7179.94
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1837.36
ACD/KOC (pH 7.4): 7549.43
Polar Surface Area: 168 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 459.7±3.0 cm3

Click to predict properties on the Chemicalize site


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