N-(4-chloro-2-methoxy-5-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-0243 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C29 H29 Cl N4 O3 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(c1cnc(c2ccccc12)N1CCN(CC1)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5141 |
| logD: | 6.5113 |
| logSw: | -6.1412 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.103 |
| InChI Key: | AQUJDUOIMHEOCA-UHFFFAOYSA-N |