N-[3-(methylsulfanyl)phenyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
N-[3-(methylsulfanyl)phenyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C696-0875 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(c2ccccc2C(Cc2ccncc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.902 |
| logD: | 2.898 |
| logSw: | -3.3862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.676 |
| InChI Key: | ASXMVACNSJNEKA-UHFFFAOYSA-N |