2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3,4-difluorophenyl)acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | M183-0756 |
| Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C22 H22 F2 N4 O2 |
| Smiles: | C1CCCN(CC1)C1c2ccccc2C(N(CC(Nc2ccc(c(c2)F)F)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9653 |
| logD: | 3.9616 |
| logSw: | -3.9834 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.717 |
| InChI Key: | LLDSGFPJDHWFLI-UHFFFAOYSA-N |