N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-6679 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 535.02 |
| Molecular Formula: | C29 H28 Cl F N4 O3 |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(CN1C(/C(=C/c2ccccc2F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3324 |
| logD: | 4.2536 |
| logSw: | -4.6198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.589 |
| InChI Key: | KKSHOJIXYCDTEO-UHFFFAOYSA-N |