3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y042-9423 |
| Compound Name: | 3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C21 H20 O6 S |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5278 |
| logD: | 4.5278 |
| logSw: | -4.4167 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.486 |
| InChI Key: | BKOAJQPRKAYMDO-UHFFFAOYSA-N |