N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C310-3111 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 598.66 |
| Molecular Formula: | C31 H30 F4 N4 O2 S |
| Smiles: | CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccc(cc12)C(NCCCN1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3089 |
| logD: | 4.7651 |
| logSw: | -5.3091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.604 |
| InChI Key: | OZGWOPNKYSVPSZ-UHFFFAOYSA-N |