2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}acetamide
Chemical Structure Depiction of
2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}acetamide
2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}acetamide
Compound characteristics
| Compound ID: | C312-1648 |
| Compound Name: | 2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}acetamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H25 F3 N2 O3 S |
| Smiles: | CC(C)OCCCNC(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5087 |
| logD: | 4.5087 |
| logSw: | -4.2311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.855 |
| InChI Key: | FZUQQOKSVGSVGK-UHFFFAOYSA-N |