N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C168-0259 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 513.04 |
| Molecular Formula: | C27 H33 Cl N4 O4 |
| Smiles: | CCN1C=C(C(NCCCN2CCN(CC2)c2cccc(c2)[Cl])=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8549 |
| logD: | 2.3111 |
| logSw: | -3.544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.955 |
| InChI Key: | JZBWDRNMJPRDNZ-UHFFFAOYSA-N |