3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0433 |
| Compound Name: | 3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C21 H20 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CC(C1=Cc2ccccc2OC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.968 |
| logD: | 3.968 |
| logSw: | -4.2464 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.172 |
| InChI Key: | HYFKNUVUZKIOAW-UHFFFAOYSA-N |