3-(4-chlorophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl thiophene-2-carboxylate
3-(4-chlorophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G856-6288 |
| Compound Name: | 3-(4-chlorophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl thiophene-2-carboxylate |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C21 H13 Cl O4 S |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OC(c1cccs1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.476 |
| logD: | 5.476 |
| logSw: | -6.0055 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.285 |
| InChI Key: | GQOLNBSBECUYJH-UHFFFAOYSA-N |