ChemSpider 2D Image | 8-Chloro-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(1H)-one | C15H14ClN3O2S

8-Chloro-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(1H)-one

  • Molecular FormulaC15H14ClN3O2S
  • Average mass335.809 Da
  • Monoisotopic mass335.049530 Da
  • ChemSpider ID24638344

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1]Benzothieno[3,2-d]pyrimidin-4(3H)-one, 8-chloro-2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]- [ACD/Index Name]
8-Chlor-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
8-Chloro-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
8-Chloro-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]méthyl}[1]benzothiéno[3,2-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
8-chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-D]pyrimidin-4(3H)-one
LYG

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.810
Molar Refractivity: 85.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 13.55
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 23.19
ACD/KOC (pH 7.4): 298.56
Polar Surface Area: 93 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 198.6±7.0 cm3

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