8-methoxy-6-oxo-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
8-methoxy-6-oxo-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
8-methoxy-6-oxo-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-1568 |
| Compound Name: | 8-methoxy-6-oxo-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C24 H21 N O7 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1ccc2c3ccc(cc3C(=O)Oc2c1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0891 |
| logD: | 4.089 |
| logSw: | -4.964 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.087 |
| InChI Key: | URUKSWOUHCBGFP-UHFFFAOYSA-N |