N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,9-dimethyl-1-oxo-2,9-dihydro-1H-pyrido[3,4-b]indole-4-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,9-dimethyl-1-oxo-2,9-dihydro-1H-pyrido[3,4-b]indole-4-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,9-dimethyl-1-oxo-2,9-dihydro-1H-pyrido[3,4-b]indole-4-carboxamide
Compound characteristics
| Compound ID: | C225-0223 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,9-dimethyl-1-oxo-2,9-dihydro-1H-pyrido[3,4-b]indole-4-carboxamide |
| Molecular Weight: | 457.58 |
| Molecular Formula: | C27 H31 N5 O2 |
| Smiles: | CN1C=C(C(NCCN2CCN(CC2)Cc2ccccc2)=O)c2c3ccccc3n(C)c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.3453 |
| logD: | 1.0429 |
| logSw: | -2.102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.888 |
| InChI Key: | GXSTVGXRAOVEHR-UHFFFAOYSA-N |