N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1559 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C29 H29 Cl N4 O3 |
| Smiles: | COc1ccc(cc1)N1C=C(C(NCCN2CCN(CC2)c2cccc(c2)[Cl])=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4803 |
| logD: | 3.3005 |
| logSw: | -3.8399 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.796 |
| InChI Key: | OMTUFNGFQIWTTN-UHFFFAOYSA-N |