3-(4-tert-butylbenzene-1-sulfonyl)-6-chloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-tert-butylbenzene-1-sulfonyl)-6-chloro-2H-1-benzopyran-2-one
3-(4-tert-butylbenzene-1-sulfonyl)-6-chloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0031 |
| Compound Name: | 3-(4-tert-butylbenzene-1-sulfonyl)-6-chloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C19 H17 Cl O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=Cc2cc(ccc2OC1=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1844 |
| logD: | 5.1844 |
| logSw: | -5.7335 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.661 |
| InChI Key: | SARXVNZUEGJPGN-UHFFFAOYSA-N |