ChemSpider 2D Image | 3-{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}propanoic acid | C28H35N5O6S2

3-{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}propanoic acid

  • Molecular FormulaC28H35N5O6S2
  • Average mass601.737 Da
  • Monoisotopic mass601.202881 Da
  • ChemSpider ID17274465

More details:

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

1-Piperazinepropanoic acid, 4-[[4-[1-(cyclopentylmethyl)-2-[(5-methoxythiazolo[5,4-b]pyridin-2-yl)amino]-2-oxoethyl]phenyl]sulfonyl]- [ACD/Index Name]
3-{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}propanoic acid [ACD/IUPAC Name]
3-{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}propansäure [German] [ACD/IUPAC Name]
Acide 3-{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}propanoïque [French] [ACD/IUPAC 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: 1.640
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 17.19
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 9.99
Polar Surface Area: 179 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 434.4±3.0 cm3

Click to predict properties on the Chemicalize site


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