7-methyl-2-oxo-4-phenyl-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
7-methyl-2-oxo-4-phenyl-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
7-methyl-2-oxo-4-phenyl-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-2427 |
| Compound Name: | 7-methyl-2-oxo-4-phenyl-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C26 H23 N O6 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1cc(C)cc2c1C(=CC(=O)O2)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6791 |
| logD: | 4.679 |
| logSw: | -4.5388 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.115 |
| InChI Key: | XOKBTFAXIAJXTI-UHFFFAOYSA-N |