ChemSpider 2D Image | 1-(6-{2-[(3-Fluorophenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propyl-3-piperidinecarboxamide | C22H25FN6O3S

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

  • Molecular FormulaC22H25FN6O3S
  • Average mass472.536 Da
  • Monoisotopic mass472.169281 Da
  • ChemSpider ID23033558

More details:

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

1-(6-{2-[(3-Fluorophenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propyl-3-piperidinecarboxamide [ACD/IUPAC Name]
1-(6-{2-[(3-Fluorophényl)amino]-2-oxoéthyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propyl-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-(6-{2-[(3-Fluorphenyl)amino]-2-oxoethyl}-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propyl-3-piperidincarboxamid [German] [ACD/IUPAC Name]
Thiazolo[4,5-d]pyrimidine-6(7H)-acetamide, N-(3-fluorophenyl)-7-oxo-2-[3-[(propylamino)carbonyl]-1-piperidinyl]- [ACD/Index Name]
1-{6-[2-(3-fluoroanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-propyl-3-piperidinecarboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.07
ACD/KOC (pH 5.5): 154.83
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.14
ACD/KOC (pH 7.4): 156.05
Polar Surface Area: 135 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 321.1±7.0 cm3

Click to predict properties on the Chemicalize site


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