2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5299 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 508.4 |
| Molecular Formula: | C27 H23 Cl2 N3 O3 |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C\c2cccc(c2)[Cl])Oc2ccccc12)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1066 |
| logD: | 5.1066 |
| logSw: | -5.5616 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.686 |
| InChI Key: | DSPQFDAPIJIWMF-UHFFFAOYSA-N |