2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | M183-0816 |
| Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C22 H22 Cl F N4 O2 |
| Smiles: | C1CCCN(CC1)C1c2ccccc2C(N(CC(Nc2ccc(c(c2)[Cl])F)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3388 |
| logD: | 4.3351 |
| logSw: | -4.5508 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.717 |
| InChI Key: | XEKPTXOBARQCSC-UHFFFAOYSA-N |