3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-valinate
Chemical Structure Depiction of
3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-valinate
3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-valinate
Compound characteristics
| Compound ID: | Y041-2459 |
| Compound Name: | 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-valinate |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C23 H22 Cl N O6 |
| Smiles: | CC(C)[C@@H](C(=O)Oc1ccc2C(C)=C(C(=O)Oc2c1)[Cl])NC(=O)OCc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 5.0909 |
| logD: | 5.0908 |
| logSw: | -5.2551 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.032 |
| InChI Key: | LLJRITVCYCZUAD-FQEVSTJZSA-N |