N-[(3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-[(3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0629 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 452.56 |
| Molecular Formula: | C28 H28 N4 O2 |
| Smiles: | COc1cccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0271 |
| logD: | 5.0136 |
| logSw: | -4.9476 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.618 |
| InChI Key: | DWMMXYXTDGGJFP-UHFFFAOYSA-N |