N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0739 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 439.62 |
| Molecular Formula: | C25 H33 N3 O2 S |
| Smiles: | CCN1CCCC1CNC(C1C(c2cccs2)N(CC(C)C)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5668 |
| logD: | 2.2359 |
| logSw: | -3.6539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.261 |
| InChI Key: | NOQABQGBSTZXBC-UHFFFAOYSA-N |