Formula |
C23H28N8OS |
IUPAC Name |
n-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide |
Molecular Mass |
464.586 g·mol−1 |
Heat of Formation |
342.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.37 ± 1.08 D |
Volume |
556.67 Å 3 |
Surface Area |
442.95 Å 2 |
HOMO Energy |
-8.34 ± 0.55 eV |
LUMO Energy |
-0.66 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- mk-0457
- n-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide
- n-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide
- vx-680
- vx6
|
InChIKey |
GCIKSSRWRFVXBI-UHFFFAOYSA-N |
QR Code |
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