3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4300-0455 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 460.43 |
| Molecular Formula: | C23 H15 F3 O5 S |
| Smiles: | Cc1cc(C)cc(c1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0143 |
| logD: | 6.0143 |
| logSw: | -5.5848 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.011 |
| InChI Key: | ATMQSUZILSISDB-UHFFFAOYSA-N |