2-{5-[(2-methylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{5-[(2-methylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
2-{5-[(2-methylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C880-0975 |
| Compound Name: | 2-{5-[(2-methylphenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C27 H32 N6 O2 |
| Smiles: | Cc1ccccc1Cn1c2C(N(CC(NCCN3CCN(C)CC3)=O)N=Cc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4327 |
| logD: | 1.7652 |
| logSw: | -2.6114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.844 |
| InChI Key: | RKTNDONHUZUMFY-UHFFFAOYSA-N |