ChemSpider 2D Image | 1-{2-[(1R)-1-Aminoethyl]-4-chlorobenzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | C15H15ClN4OS

1-{2-[(1R)-1-Aminoethyl]-4-chlorobenzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

  • Molecular FormulaC15H15ClN4OS
  • Average mass334.824 Da
  • Monoisotopic mass334.065521 Da
  • ChemSpider ID114711423

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-({2-[(1R)-1-aminoethyl]-4-chlorophenyl}methyl)-2-sulfanylidene-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
1-{2-[(1R)-1-Aminoethyl]-4-chlorbenzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
1-{2-[(1R)-1-Aminoethyl]-4-chlorobenzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [ACD/IUPAC Name]
1-{2-[(1R)-1-Aminoéthyl]-4-chlorobenzyl}-2-thioxo-1,2,3,5-tétrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
1933460-19-5 [RN]
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 1-[[2-[(1R)-1-aminoethyl]-4-chlorophenyl]methyl]-1,2,3,5-tetrahydro-2-thioxo- [ACD/Index Name]
mitiperstat

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.734
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.73
Polar Surface Area: 106 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 84.0±5.0 dyne/cm
Molar Volume: 223.8±5.0 cm3

Click to predict properties on the Chemicalize site


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