ChemSpider 2D Image | 2-(4-Chlorobenzyl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl}-3-(1-pyrrolidinyl)-1-propanone | C25H32ClN5OS

2-(4-Chlorobenzyl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl}-3-(1-pyrrolidinyl)-1-propanone

  • Molecular FormulaC25H32ClN5OS
  • Average mass486.073 Da
  • Monoisotopic mass485.201599 Da
  • ChemSpider ID26375813

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Propanone, 3-(4-chlorophenyl)-1-[4-[(5S)-5,7-dihydro-5-methylthieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl]-2-(1-pyrrolidinylmethyl)- [ACD/Index Name]
2-(4-Chlorbenzyl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl}-3-(1-pyrrolidinyl)-1-propanon [German] [ACD/IUPAC Name]
2-(4-Chlorobenzyl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-1-piperazinyl}-3-(1-pyrrolidinyl)-1-propanone [ACD/IUPAC Name]
2-(4-Chlorobenzyl)-1-{4-[(5S)-5-méthyl-5,7-dihydrothiéno[3,4-d]pyrimidin-4-yl]-1-pipérazinyl}-3-(1-pyrrolidinyl)-1-propanone [French] [ACD/IUPAC 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: 701.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.8±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 16.74
Polar Surface Area: 78 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 380.9±3.0 cm3

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