2-benzylidene-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1118 |
| Compound Name: | 2-benzylidene-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 490.02 |
| Molecular Formula: | C27 H24 Cl N3 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C/c2ccccc2)Sc2ccccc12)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2023 |
| logD: | 5.2023 |
| logSw: | -5.6023 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.722 |
| InChI Key: | QAGZPUFOCNTSMW-UHFFFAOYSA-N |