4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Chemical Structure Depiction of
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Compound characteristics
| Compound ID: | Y040-4049 |
| Compound Name: | 4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C21 H21 N O6 S |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2C)OC([C@H](C)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5628 |
| logD: | 3.5627 |
| logSw: | -3.8273 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.201 |
| InChI Key: | GZCZCIVJJKVYFL-HNNXBMFYSA-N |