6-bromo-3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-8-methoxy-2H-1-benzopyran-2-one
6-bromo-3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0599 |
| Compound Name: | 6-bromo-3-[(4-tert-butylbenzene-1-sulfonyl)acetyl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 493.37 |
| Molecular Formula: | C22 H21 Br O6 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CC(C1=Cc2cc(cc(c2OC1=O)OC)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8627 |
| logD: | 4.8627 |
| logSw: | -4.7963 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.487 |
| InChI Key: | DEQUOFLWXRLMPN-UHFFFAOYSA-N |