4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-2166 |
| Compound Name: | 4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C19 H18 O4 S |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0225 |
| logD: | 5.0225 |
| logSw: | -4.8224 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.813 |
| InChI Key: | SMBGBAAUYCWZHO-UHFFFAOYSA-N |