2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methylpropyl)-5-(3,5,5-trimethylhexanamido)benzamide
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methylpropyl)-5-(3,5,5-trimethylhexanamido)benzamide
2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methylpropyl)-5-(3,5,5-trimethylhexanamido)benzamide
Compound characteristics
| Compound ID: | V012-1005 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methylpropyl)-5-(3,5,5-trimethylhexanamido)benzamide |
| Molecular Weight: | 463.66 |
| Molecular Formula: | C29 H41 N3 O2 |
| Smiles: | CC(C)CNC(c1cc(ccc1N1CCc2ccccc2C1)NC(CC(C)CC(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6439 |
| logD: | 6.6439 |
| logSw: | -5.6804 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.886 |
| InChI Key: | YFRLEOOTQCNWJL-OAQYLSRUSA-N |