N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0981 |
| Compound Name: | N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C28 H32 N2 O4 S |
| Smiles: | CC(C)CN1C(C(C(NCCc2ccc(cc2OC)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7039 |
| logD: | 4.7039 |
| logSw: | -4.4119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.37 |
| InChI Key: | LDNSLZWOMQMAQK-UHFFFAOYSA-N |