N-[2-(azepan-1-yl)ethyl]-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
N-[2-(azepan-1-yl)ethyl]-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
Compound characteristics
| Compound ID: | C891-1970 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1,6-dihydro-2H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C25 H32 F N5 O2 |
| Smiles: | Cc1c2C=NN(CC(NCCN3CCCCCC3)=O)C(c2c(C)n1Cc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5746 |
| logD: | 1.089 |
| logSw: | -2.7608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.554 |
| InChI Key: | DVCNCTLROMKQIR-UHFFFAOYSA-N |