4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(3-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(3-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(3-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5384 |
| Compound Name: | 4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(3-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C29 H28 F N3 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1297 |
| logD: | 5.1296 |
| logSw: | -5.0907 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.385 |
| InChI Key: | ARIWSGUORHRPGI-UHFFFAOYSA-N |