3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-propyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-propyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-propyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 8010-1680 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-propyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 405.39 |
| Molecular Formula: | C20 H14 F3 N O3 S |
| Smiles: | CCCc1cc2C(C(=C(C(F)(F)F)Oc2cc1O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7416 |
| logD: | 5.569 |
| logSw: | -5.2693 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.546 |
| InChI Key: | YXVLIGBPYAWNQK-UHFFFAOYSA-N |