6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y040-3689 |
| Compound Name: | 6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 477.96 |
| Molecular Formula: | C23 H24 Cl N O6 S |
| Smiles: | CC(C)[C@@H](C(=O)Oc1cc2c(cc1[Cl])C(C)=C(C)C(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.1511 |
| logD: | 5.1511 |
| logSw: | -5.5563 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.22 |
| InChI Key: | PDQRWTZTJLGKJW-NRFANRHFSA-N |