7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | D037-0098 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 368.43 |
| Molecular Formula: | C19 H12 O4 S2 |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3005 |
| logD: | 5.3005 |
| logSw: | -5.3991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.119 |
| InChI Key: | VPWPPKONCBADMO-UHFFFAOYSA-N |