(2S)-3-Amino-2-(4-Chlorobenzyl)-1-[4-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)-1-Piperazinyl]-1-Propanone

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Properties Simple | Detailed

Formula C20H23ClN6O
IUPAC Name (2s)-2-(aminomethyl)-3-(4-chlorophenyl)-1-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
Molecular Mass 398.889 g·mol−1
Heat of Formation 116.1 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 465.66 Å 3
Surface Area 394.28 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
InChIKey IYQSFRNHWXBIKV-HNNXBMFYSA-N
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Elements H C N O Cl