N-[(3-chlorophenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0546 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C27 H25 Cl N4 O |
| Smiles: | C(c1cccc(c1)[Cl])NC(c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6272 |
| logD: | 5.6136 |
| logSw: | -6.0654 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.074 |
| InChI Key: | CGTKLUHBHYHURH-UHFFFAOYSA-N |