4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Chemical Structure Depiction of
4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Compound characteristics
| Compound ID: | Y700-0203 |
| Compound Name: | 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C29 H31 N7 O |
| Smiles: | Cc1ccc(cc1Nc1nccc(c2cccnc2)n1)NC(c1ccc(CN2CCN(C)CC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.069 |
| logD: | 2.2701 |
| logSw: | -2.9898 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.137 |
| InChI Key: | KTUFNOKKBVMGRW-UHFFFAOYSA-N |