2-benzylidene-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8712 |
| Compound Name: | 2-benzylidene-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 627.18 |
| Molecular Formula: | C35 H32 Cl F N4 O2 S |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6592 |
| logD: | 6.635 |
| logSw: | -6.4497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.567 |
| InChI Key: | VWSFPZLPAFHCAH-UHFFFAOYSA-N |