4-[(4-chlorophenyl)methyl]-2-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-2-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
4-[(4-chlorophenyl)methyl]-2-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6766 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 568.05 |
| Molecular Formula: | C33 H27 Cl F N3 O3 |
| Smiles: | C1CN(CCN1C(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 6.3073 |
| logD: | 6.3073 |
| logSw: | -6.4444 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.941 |
| InChI Key: | BGOCWNHQLHEAPM-UHFFFAOYSA-N |