ChemSpider 2D Image | 3-[2-(4-Iodophenyl)-2-oxoethyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one | C17H13IN2O2S

3-[2-(4-Iodophenyl)-2-oxoethyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

  • Molecular FormulaC17H13IN2O2S
  • Average mass436.267 Da
  • Monoisotopic mass435.974243 Da
  • ChemSpider ID21714829

More details:

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

3-[2-(4-Iodophenyl)-2-oxoethyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
3-[2-(4-Iodophényl)-2-oxoéthyl]-3,5,6,7-tétrahydro-4H-cyclopenta[4,5]thiéno[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-[2-(4-Iodphenyl)-2-oxoethyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-3-[2-(4-iodophenyl)-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 623.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.7±34.3 °C
Index of Refraction: 1.796
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 497.39
ACD/KOC (pH 5.5): 2964.15
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 497.39
ACD/KOC (pH 7.4): 2964.15
Polar Surface Area: 78 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 234.4±7.0 cm3

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