N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0377 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 492.96 |
| Molecular Formula: | C27 H23 Cl F2 N4 O |
| Smiles: | C(c1ccc(cc1[Cl])F)NC(c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1034 |
| logD: | 6.0898 |
| logSw: | -6.4367 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.074 |
| InChI Key: | VCBTUDFGXGNAQL-UHFFFAOYSA-N |