N-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0191 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 545.04 |
| Molecular Formula: | C30 H29 Cl N4 O4 |
| Smiles: | COc1cccc(c1)N1C=C(C(NCCC(N2CCN(CC2)c2cccc(c2)[Cl])=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0807 |
| logD: | 3.0807 |
| logSw: | -3.6614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.206 |
| InChI Key: | SEEWCPFBHBZHDL-UHFFFAOYSA-N |