4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y040-3437 |
| Compound Name: | 4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C24 H27 N O6 S |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2C)OC([C@H](C(C)C)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.7783 |
| logD: | 4.7782 |
| logSw: | -4.5203 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.39 |
| InChI Key: | SMPCUZLZGTUEQJ-QFIPXVFZSA-N |