4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y040-3632 |
| Compound Name: | 4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C23 H25 N O6 S |
| Smiles: | CC(C)[C@@H](C(=O)Oc1ccc2C(C)=CC(=O)Oc2c1C)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.3682 |
| logD: | 4.3681 |
| logSw: | -4.3681 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.39 |
| InChI Key: | KNPLGINMHSHNSJ-NRFANRHFSA-N |