6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y040-8125 |
| Compound Name: | 6-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H23 N O6 S |
| Smiles: | CCc1cc2C(C)=CC(=O)Oc2cc1OC(CCNS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0184 |
| logD: | 4.0183 |
| logSw: | -4.1536 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.387 |
| InChI Key: | ZLBMFFFPTKKCHO-UHFFFAOYSA-N |