N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-1927 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 593.71 |
| Molecular Formula: | C33 H34 F3 N3 O2 S |
| Smiles: | C(CNC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O)CN1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6759 |
| logD: | 4.5838 |
| logSw: | -6.1613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.093 |
| InChI Key: | VTNHGSQVSZHXPF-UHFFFAOYSA-N |