N-(5-chloro-2-methoxyphenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]isoquinoline-4-carboxamide
N-(5-chloro-2-methoxyphenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-0316 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]isoquinoline-4-carboxamide |
| Molecular Weight: | 474.95 |
| Molecular Formula: | C25 H23 Cl N6 O2 |
| Smiles: | COc1ccc(cc1NC(c1cnc(c2ccccc12)N1CCN(CC1)c1ncccn1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.98 |
| logD: | 4.9756 |
| logSw: | -4.9635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.136 |
| InChI Key: | HTEFWSRIPATAPT-UHFFFAOYSA-N |