(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
Chemical Structure Depiction of
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | Y042-4941 |
| Compound Name: | (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide |
| Molecular Weight: | 435.38 |
| Molecular Formula: | C18 H12 F3 N5 O3 S |
| Smiles: | C[C@@H](C(Nc1nc2ccc(cc2s1)OC(F)(F)F)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.1141 |
| logD: | 5.1141 |
| logSw: | -4.981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.527 |
| InChI Key: | TVJBCIRPOBPMCD-VIFPVBQESA-N |