3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methylbenzoate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methylbenzoate
3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | 4356-0602 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methylbenzoate |
| Molecular Weight: | 509.5 |
| Molecular Formula: | C27 H18 F3 N O4 S |
| Smiles: | CCc1cc2C(C(=C(C(F)(F)F)Oc2cc1OC(c1ccc(C)cc1)=O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3051 |
| logD: | 7.3051 |
| logSw: | -5.6592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.463 |
| InChI Key: | GOXUSQLYOPQODY-UHFFFAOYSA-N |