methyl N-[1,3-dioxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]valinate
Chemical Structure Depiction of
methyl N-[1,3-dioxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]valinate
methyl N-[1,3-dioxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]valinate
Compound characteristics
| Compound ID: | Y042-3979 |
| Compound Name: | methyl N-[1,3-dioxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]valinate |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C23 H24 N2 O5 |
| Smiles: | CC(C)C(C(=O)OC)NC(c1ccc2C(N(CCc3ccccc3)C(c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4915 |
| logD: | 3.4915 |
| logSw: | -3.7029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.681 |
| InChI Key: | AORSPAFIPZUWAV-IBGZPJMESA-N |