2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M183-0761 |
| Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(c2ccccc2C(=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0696 |
| logD: | 4.0696 |
| logSw: | -4.0353 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.717 |
| InChI Key: | WOORJHKTQLLQFZ-UHFFFAOYSA-N |