methyl N-[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-L-valinate
Chemical Structure Depiction of
methyl N-[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-L-valinate
methyl N-[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-L-valinate
Compound characteristics
| Compound ID: | Y044-4556 |
| Compound Name: | methyl N-[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-L-valinate |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C23 H24 N2 O5 |
| Smiles: | CC(C)[C@@H](C(=O)OC)NC(C1=CN(C(c2ccccc12)=O)c1ccccc1OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0551 |
| logD: | 3.0551 |
| logSw: | -3.6376 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.295 |
| InChI Key: | HRSJMJRWARDNMV-FQEVSTJZSA-N |