N-[(4-ethylphenyl)methyl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
N-[(4-ethylphenyl)methyl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | P099-0432 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]acetamide |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | CCc1ccc(CNC(CN2CCc3ccccc3C2C(N2CCCC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8188 |
| logD: | 3.8181 |
| logSw: | -3.7442 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.869 |
| InChI Key: | KLCNPWCAJISBCJ-XMMPIXPASA-N |