N-[(2,5-dimethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0881 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C27 H30 N2 O4 S |
| Smiles: | CC(C)CN1C(C(C(NCc2cc(ccc2OC)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4464 |
| logD: | 4.4464 |
| logSw: | -4.3392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.529 |
| InChI Key: | YHDQSTSFKIQRKJ-UHFFFAOYSA-N |