N-[3-(azepan-1-yl)propyl]-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
N-[3-(azepan-1-yl)propyl]-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | C880-0219 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | Cn1c2C(N(CC(NCCCN3CCCCCC3)=O)N=Cc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6147 |
| logD: | -1.0139 |
| logSw: | -2.4467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.78 |
| InChI Key: | PQLSJPJLBFYNMR-UHFFFAOYSA-N |