3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y041-1422 |
| Compound Name: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C29 H29 N O6 S |
| Smiles: | CC(C)[C@@H](C(=O)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.9075 |
| logD: | 5.9074 |
| logSw: | -5.5554 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.862 |
| InChI Key: | NVEMKHFLNPWIMP-MHZLTWQESA-N |