3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 8010-1679 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 363.31 |
| Molecular Formula: | C17 H8 F3 N O3 S |
| Smiles: | c1ccc2c(c1)nc(C1=C(C(F)(F)F)Oc3cc(ccc3C1=O)O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2002 |
| logD: | 3.6212 |
| logSw: | -4.4653 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.615 |
| InChI Key: | MZNCHSRVCYMSNV-UHFFFAOYSA-N |