2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-methylphenyl)acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M183-0772 |
| Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 424.93 |
| Molecular Formula: | C23 H25 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C(c2ccccc2C(=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9989 |
| logD: | 4.9988 |
| logSw: | -4.9676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.717 |
| InChI Key: | ZBHGHHGEDYDNJB-UHFFFAOYSA-N |