ChemSpider 2D Image | 1-(6-{2-[(4-Butylphenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-ethyl-3-piperidinecarboxamide | C25H32N6O3S

1-(6-{2-[(4-Butylphenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-ethyl-3-piperidinecarboxamide

  • Molecular FormulaC25H32N6O3S
  • Average mass496.625 Da
  • Monoisotopic mass496.225647 Da
  • ChemSpider ID23033540

More details:

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

1-(6-{2-[(4-Butylphenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-ethyl-3-piperidincarboxamid [German] [ACD/IUPAC Name]
1-(6-{2-[(4-Butylphenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-ethyl-3-piperidinecarboxamide [ACD/IUPAC Name]
1-(6-{2-[(4-Butylphényl)amino]-2-oxoéthyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-éthyl-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
Thiazolo[4,5-d]pyrimidine-6(7H)-acetamide, N-(4-butylphenyl)-2-[3-[(ethylamino)carbonyl]-1-piperidinyl]-7-oxo- [ACD/Index Name]
1-(6-{2-[(4-butylphenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
1-{6-[(4-Butyl-phenylcarbamoyl)-methyl]-7-oxo-6,7-dihydro-thiazolo[4,5-d]pyrimidin-2-yl}-piperidine-3-carboxylic acid ethylamide
1-methyl-3-{[(4-methylbenzyl)oxy]methyl}-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

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: 1.677
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.65
ACD/KOC (pH 5.5): 616.61
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 56.11
ACD/KOC (pH 7.4): 621.69
Polar Surface Area: 135 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 365.5±7.0 cm3

Click to predict properties on the Chemicalize site


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