3-(4-tert-butylbenzene-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-tert-butylbenzene-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
3-(4-tert-butylbenzene-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0901 |
| Compound Name: | 3-(4-tert-butylbenzene-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C20 H20 O4 S |
| Smiles: | Cc1ccc2c(C=C(C(=O)O2)S(c2ccc(cc2)C(C)(C)C)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.928 |
| logD: | 4.928 |
| logSw: | -4.8383 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.661 |
| InChI Key: | TVEGHVAKBUZXSO-UHFFFAOYSA-N |