Formula |
C28H30N6OS |
IUPAC Name |
4-[(4-methylpiperazin-1-yl)methyl]-n-[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]benzamide |
Molecular Mass |
498.642 g·mol−1 |
Heat of Formation |
343.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.47 ± 1.08 D |
Volume |
601.95 Å 3 |
Surface Area |
511.96 Å 2 |
HOMO Energy |
-8.23 ± 0.55 eV |
LUMO Energy |
2.29 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridyl)-2-thiazolyl]amino]phenyl]benzamide
- 4-[(4-methylpiperazin-1-yl)methyl]-n-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
- 4-[(4-methylpiperazin-1-yl)methyl]-n-[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]benzamide
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InChIKey |
WJEOLQLKVOPQFV-UHFFFAOYSA-N |
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Elements |
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