5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y040-7999 |
| Compound Name: | 5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C27 H25 N O7 S |
| Smiles: | CC(C)[C@@H](C(=O)Oc1cc(c2C(C=C(c3ccccc3)Oc2c1)=O)O)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.9621 |
| logD: | 5.8719 |
| logSw: | -5.4441 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.307 |
| InChI Key: | ZIFTUWORMFTAEC-SANMLTNESA-N |