3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-7710 |
| Compound Name: | 3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C23 H18 O4 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5759 |
| logD: | 5.5759 |
| logSw: | -5.6362 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.056 |
| InChI Key: | TVTWROBBFWDNSO-UHFFFAOYSA-N |