2-[(3-chlorophenyl)methylidene]-4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(3-chlorophenyl)methylidene]-4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5289 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 502.01 |
| Molecular Formula: | C29 H28 Cl N3 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CN1C(/C(=C\c2cccc(c2)[Cl])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6466 |
| logD: | 5.6465 |
| logSw: | -5.8268 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.385 |
| InChI Key: | KRMHRJNQWFXBCY-UHFFFAOYSA-N |