ChemSpider 2D Image | 2-Methyl-2-propanyl 3-({[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]amino}methyl)-1-piperidinecarboxylate | C32H43N5O6S2

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

  • Molecular FormulaC32H43N5O6S2
  • Average mass657.844 Da
  • Monoisotopic mass657.265503 Da
  • ChemSpider ID9753100

More details:

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

1-Piperidinecarboxylic acid, 3-[[[[4-[1-(cyclopentylmethyl)-2-[(5-methoxythiazolo[5,4-b]pyridin-2-yl)amino]-2-oxoethyl]phenyl]sulfonyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-({[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]amino}methyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-({[(4-{3-cyclopentyl-1-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phenyl)sulfonyl]amino}methyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-({[(4-{3-Cyclopentyl-1-[(5-méthoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxo-2-propanyl}phényl)sulfonyl]amino}méthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [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: 1.601
Molar Refractivity: 174.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7340.59
ACD/KOC (pH 5.5): 20314.45
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7383.38
ACD/KOC (pH 7.4): 20432.85
Polar Surface Area: 176 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 510.6±3.0 cm3

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