2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[3-(pyrrolidin-1-yl)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-(pyrrolidin-1-yl)propyl]acetamide
2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-2466 |
| Compound Name: | 2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide |
| Molecular Weight: | 489.56 |
| Molecular Formula: | C25 H26 F3 N3 O2 S |
| Smiles: | C1CCN(C1)CCCNC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2805 |
| logD: | 1.19 |
| logSw: | -4.216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.731 |
| InChI Key: | QOELAVKQVQSDMH-UHFFFAOYSA-N |