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 |