ChemSpider 2D Image | 6-[1-{2-[(3-Chlorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-methylbenzyl)hexanamide | C28H29ClN4O4S

6-[1-{2-[(3-Chlorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-methylbenzyl)hexanamide

  • Molecular FormulaC28H29ClN4O4S
  • Average mass553.072 Da
  • Monoisotopic mass552.159790 Da
  • ChemSpider ID22496277

More details:

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

6-[1-{2-[(3-Chlorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-methylbenzyl)hexanamide [ACD/IUPAC Name]
6-[1-{2-[(3-Chlorophényl)amino]-2-oxoéthyl}-2,4-dioxo-1,4-dihydrothiéno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-méthylbenzyl)hexanamide [French] [ACD/IUPAC Name]
6-[1-{2-[(3-Chlorphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-(4-methylbenzyl)hexanamid [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidine-3(2H)-hexanamide, 1-[2-[(3-chlorophenyl)amino]-2-oxoethyl]-1,4-dihydro-N-[(4-methylphenyl)methyl]-2,4-dioxo- [ACD/Index 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: 1.635
Molar Refractivity: 148.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2297.05
ACD/KOC (pH 5.5): 8861.80
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2297.05
ACD/KOC (pH 7.4): 8861.80
Polar Surface Area: 127 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 414.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement