3-(3,4-dimethylbenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
3-(3,4-dimethylbenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0104 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)-8-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 358.41 |
| Molecular Formula: | C19 H18 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)S(c1ccc(C)c(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1336 |
| logD: | 4.1336 |
| logSw: | -4.3196 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.555 |
| InChI Key: | JYVVTIBNYGFDRQ-UHFFFAOYSA-N |