5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide
Chemical Structure Depiction of
5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide
5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide
Compound characteristics
| Compound ID: | C095-0427 |
| Compound Name: | 5-bromo-2-chloro-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide |
| Molecular Weight: | 537.85 |
| Molecular Formula: | C25 H22 Br Cl N6 O |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(c1cc(ccc1[Cl])[Br])=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 6.7191 |
| logD: | 6.6252 |
| logSw: | -6.4392 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.199 |
| InChI Key: | XZSAAUDETJFKMH-UHFFFAOYSA-N |