methyl N-[3-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-L-valinate
Chemical Structure Depiction of
methyl N-[3-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-L-valinate
methyl N-[3-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-L-valinate
Compound characteristics
| Compound ID: | Y043-6838 |
| Compound Name: | methyl N-[3-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-L-valinate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CC(C)[C@@H](C(=O)OC)NC(c1cccc(c1)C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5989 |
| logD: | 3.5989 |
| logSw: | -3.8606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.099 |
| InChI Key: | HTKXIFKQJPSOJW-IBGZPJMESA-N |