ChemSpider 2D Image | Ethyl N-{1-[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]-3-azetidinyl}glycinate | C28H35N5O6S2

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

  • Molecular FormulaC28H35N5O6S2
  • Average mass601.737 Da
  • Monoisotopic mass601.202881 Da
  • ChemSpider ID9874696

More details:

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

Ethyl N-{1-[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]-3-azetidinyl}glycinate [ACD/IUPAC Name]
Ethyl-N-{1-[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]-3-azetidinyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[1-[[4-[1-(cyclopentylmethyl)-2-[(5-methoxythiazolo[5,4-b]pyridin-2-yl)amino]-2-oxoethyl]phenyl]sulfonyl]-3-azetidinyl]-, ethyl ester [ACD/Index Name]
N-{1-[(4-{3-Cyclopentyl-1-[(5-méthoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phényl)sulfonyl]-3-azétidinyl}glycinate d'éthyle [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: 1.651
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1041.89
ACD/KOC (pH 5.5): 4605.32
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1415.39
ACD/KOC (pH 7.4): 6256.21
Polar Surface Area: 176 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 428.4±5.0 cm3

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