N-[2-(azepan-1-yl)ethyl]-1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0226 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 492.06 |
| Molecular Formula: | C28 H34 Cl N5 O |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3213 |
| logD: | 4.3446 |
| logSw: | -6.0181 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.229 |
| InChI Key: | BCJSADBVDSMMIS-UHFFFAOYSA-N |