6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-2828 |
| Compound Name: | 6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H23 N O6 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1ccc2C3CCCCC=3C(=O)Oc2c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.175 |
| logD: | 4.1749 |
| logSw: | -4.2715 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.735 |
| InChI Key: | MZBVZCDIUGAIGE-UHFFFAOYSA-N |