N-[4-(furan-2-yl)butan-2-yl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[4-(furan-2-yl)butan-2-yl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[4-(furan-2-yl)butan-2-yl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0999 |
| Compound Name: | N-[4-(furan-2-yl)butan-2-yl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C26 H30 N2 O3 S |
| Smiles: | CC(C)CN1C(C(C(NC(C)CCc2ccco2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1552 |
| logD: | 5.1552 |
| logSw: | -4.9727 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.545 |
| InChI Key: | XXXVXMRUDLNAKV-UHFFFAOYSA-N |