2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M183-0723 |
| Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(c2ccccc2C(=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1193 |
| logD: | 4.1192 |
| logSw: | -4.4307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.348 |
| InChI Key: | MRDJVAVRXRNEPT-UHFFFAOYSA-N |