N-[3-(azepan-1-yl)propyl]-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
N-[3-(azepan-1-yl)propyl]-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
Compound characteristics
| Compound ID: | C891-1302 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C27 H37 N5 O2 |
| Smiles: | Cc1ccc(Cn2c(C)c3C=NN(CC(NCCCN4CCCCCC4)=O)C(c3c2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8431 |
| logD: | 0.2145 |
| logSw: | -3.0982 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.554 |
| InChI Key: | AIYSQPAKJQQGSO-UHFFFAOYSA-N |