ChemSpider 2D Image | (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-D]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine | C20H23ClN6O

(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-D]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine

  • Molecular FormulaC20H23ClN6O
  • Average mass398.889 Da
  • Monoisotopic mass398.162201 Da
  • ChemSpider ID25058778

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-D]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
(2S)-3-Amino-2-(4-chlorbenzyl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
(2S)-3-Amino-2-(4-chlorobenzyl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
(2S)-3-Amino-2-(4-chlorobenzyl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-amino-2-[(4-chlorophenyl)methyl]-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-, (2S)- [ACD/Index Name]
XM1

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.41
Polar Surface Area: 91 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 292.6±3.0 cm3

Click to predict properties on the Chemicalize site


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