N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1225 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 547.1 |
| Molecular Formula: | C31 H35 Cl N4 O3 |
| Smiles: | CN1C(C(C(NCCCN2CCN(CC2)c2cccc(c2)[Cl])=O)c2ccccc2C1=O)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8322 |
| logD: | 3.2461 |
| logSw: | -4.2879 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.73 |
| InChI Key: | PBQFUVYEJDZENJ-UHFFFAOYSA-N |