2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-4801 |
| Compound Name: | 2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C26 H22 Cl N3 O3 |
| Smiles: | C1CN(CCN1C(c1ccc(/C=C2/C(Nc3ccccc3O2)=O)cc1)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5218 |
| logD: | 4.5218 |
| logSw: | -4.9542 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.716 |
| InChI Key: | NDHQKGYKDRGOSZ-UHFFFAOYSA-N |