N-[2-(azepan-1-yl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
N-[2-(azepan-1-yl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Compound characteristics
| Compound ID: | C884-1657 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | CCC(C(NCCN1CCCCCC1)=O)n1c2C(N(C)N=Cc2c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5863 |
| logD: | 1.0178 |
| logSw: | -2.7144 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.142 |
| InChI Key: | IPNRDWZXLMWZML-IBGZPJMESA-N |