3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-2002 |
| Compound Name: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C22 H16 O4 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9802 |
| logD: | 4.9802 |
| logSw: | -4.8725 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.285 |
| InChI Key: | RJZQITSCFSEEFK-UHFFFAOYSA-N |