N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0839 |
| Compound Name: | N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 546.73 |
| Molecular Formula: | C31 H38 N4 O3 S |
| Smiles: | CC(C)CN1C(C(C(NCCN2CCN(CC2)c2ccc(cc2)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3931 |
| logD: | 4.2253 |
| logSw: | -4.1109 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.982 |
| InChI Key: | MYJHILUYYXOUMW-UHFFFAOYSA-N |