3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl thiophene-2-carboxylate
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-1848 |
| Compound Name: | 3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C17 H14 O4 S |
| Smiles: | CC1=C(C)c2c(cc(C)cc2OC(c2cccs2)=O)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.3535 |
| logD: | 4.3535 |
| logSw: | -4.6028 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.643 |
| InChI Key: | SHHFCMILEUKETD-UHFFFAOYSA-N |