2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C312-1657 |
| Compound Name: | 2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H24 F3 N3 O2 S |
| Smiles: | C1CCN(C1)CCNC(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1573 |
| logD: | 2.2186 |
| logSw: | -4.2587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.731 |
| InChI Key: | FCRXDBSLXIRHHL-UHFFFAOYSA-N |