ChemSpider 2D Image | 6-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4(3H)-one | C23H22ClN5O3S

6-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC23H22ClN5O3S
  • Average mass483.970 Da
  • Monoisotopic mass483.113190 Da
  • ChemSpider ID26312762

More details:

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

6-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
6-[3-(3-Chlorophényl)-1,2,4-oxadiazol-5-yl]-5-méthyl-3-[2-(4-méthyl-1-pipéridinyl)-2-oxoéthyl]thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
6-[3-(3-Chlorphenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]- [ACD/Index Name]
1243093-64-2 [RN]
6-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)-5-methyl-3-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)thieno[2,3-d]pyrimidin-4(3H)-one
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4(3H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.7±35.7 °C
Index of Refraction: 1.736
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.16
ACD/KOC (pH 5.5): 1930.17
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 273.16
ACD/KOC (pH 7.4): 1930.17
Polar Surface Area: 120 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 318.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement