N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(1-methyl-1H-indol-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(1-methyl-1H-indol-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(1-methyl-1H-indol-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2487 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(1-methyl-1H-indol-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 549.72 |
| Molecular Formula: | C34 H39 N5 O2 |
| Smiles: | CN1C(C(C(NCCCN2CCN(CC2)Cc2ccccc2)=O)c2ccccc2C1=O)c1cc2ccccc2n1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2542 |
| logD: | 2.4346 |
| logSw: | -3.5314 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.002 |
| InChI Key: | XYSLURXUBNVZJC-UHFFFAOYSA-N |