6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-[(4-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-[(4-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-[(4-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F119-0937 |
| Compound Name: | 6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-[(4-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C26 H23 Cl F N3 O3 |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(CO2)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9252 |
| logD: | 3.9252 |
| logSw: | -4.3873 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.977 |
| InChI Key: | CETCGQTWYYPPOI-UHFFFAOYSA-N |