ChemSpider 2D Image | 4-[(3,4-Dichlorobenzyl)sulfanyl]-1-[2-(diethylamino)ethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one | C20H25Cl2N3OS

4-[(3,4-Dichlorobenzyl)sulfanyl]-1-[2-(diethylamino)ethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one

  • Molecular FormulaC20H25Cl2N3OS
  • Average mass426.403 Da
  • Monoisotopic mass425.109528 Da
  • ChemSpider ID58298617

More details:

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

2H-Cyclopenta[d]pyrimidin-2-one, 4-[[(3,4-dichlorophenyl)methyl]thio]-1-[2-(diethylamino)ethyl]-1,5,6,7-tetrahydro- [ACD/Index Name]
4-[(3,4-Dichlorbenzyl)sulfanyl]-1-[2-(diethylamino)ethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-on [German] [ACD/IUPAC Name]
4-[(3,4-Dichlorobenzyl)sulfanyl]-1-[2-(diethylamino)ethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one [ACD/IUPAC Name]
4-[(3,4-Dichlorobenzyl)sulfanyl]-1-[2-(diéthylamino)éthyl]-1,5,6,7-tétrahydro-2H-cyclopenta[d]pyrimidin-2-one [French] [ACD/IUPAC Name]
4-((3,4-dichlorobenzyl)thio)-1-(2-(diethylamino)ethyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 8.53
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 14.00
ACD/KOC (pH 7.4): 51.39
Polar Surface Area: 61 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 323.9±7.0 cm3

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