ChemSpider 2D Image | 2-({[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one | C20H19ClN4O2S2

2-({[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC20H19ClN4O2S2
  • Average mass446.974 Da
  • Monoisotopic mass446.063782 Da
  • ChemSpider ID22279624

More details:

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

2-({[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-({[3-(4-Chlorophényl)-1,2,4-oxadiazol-5-yl]méthyl}sulfanyl)-3-(3-méthylbutyl)thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
2-({[3-(4-Chlorphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]-3-(3-methylbutyl)- [ACD/Index Name]
1040651-27-1 [RN]
2-(((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)thio)-3-isopentylthieno[3,2-d]pyrimidin-4(3H)-one
2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-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: 604.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.6±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1768.53
ACD/KOC (pH 5.5): 7349.17
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1768.53
ACD/KOC (pH 7.4): 7349.17
Polar Surface Area: 125 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 305.6±7.0 cm3

Click to predict properties on the Chemicalize site


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