2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C307-0216 |
| Compound Name: | 2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-fluorophenyl)methyl]-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(Cc3cccc(c3)F)c3ccccc3O2)=O)cc1)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2677 |
| logD: | 6.2677 |
| logSw: | -6.4394 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.941 |
| InChI Key: | PLTVZBKWQVDTQV-UHFFFAOYSA-N |