3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4300-0878 |
| Compound Name: | 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 511.27 |
| Molecular Formula: | C21 H10 Br F3 O5 S |
| Smiles: | c1ccc(c(c1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(c1cccs1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.75 |
| logD: | 5.75 |
| logSw: | -6.0047 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.098 |
| InChI Key: | PKJMNDVBALACTJ-UHFFFAOYSA-N |