2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y041-1658 |
| Compound Name: | 2-oxo-4-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C24 H27 N O6 S |
| Smiles: | CCCC1=CC(=O)Oc2cc(ccc12)OC([C@H](C(C)C)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.8665 |
| logD: | 4.8665 |
| logSw: | -4.5711 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.619 |
| InChI Key: | KJGMSBKMURYMPJ-QHCPKHFHSA-N |