2-[2-(azepan-1-yl)-2-oxoethyl]-4-[(pyridin-3-yl)methyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
2-[2-(azepan-1-yl)-2-oxoethyl]-4-[(pyridin-3-yl)methyl]phthalazin-1(2H)-one
2-[2-(azepan-1-yl)-2-oxoethyl]-4-[(pyridin-3-yl)methyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | C696-1025 |
| Compound Name: | 2-[2-(azepan-1-yl)-2-oxoethyl]-4-[(pyridin-3-yl)methyl]phthalazin-1(2H)-one |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C22 H24 N4 O2 |
| Smiles: | C1CCCN(CC1)C(CN1C(c2ccccc2C(Cc2cccnc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9558 |
| logD: | 1.9434 |
| logSw: | -2.2834 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.34 |
| InChI Key: | MOHYBGTUQJMFIJ-UHFFFAOYSA-N |