2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C307-0100 |
| Compound Name: | 2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 582.07 |
| Molecular Formula: | C34 H29 Cl F N3 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3O2)=O)cc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.9849 |
| logD: | 6.9849 |
| logSw: | -6.3089 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.64 |
| InChI Key: | BEKZHCVTYZOETK-UHFFFAOYSA-N |