2-(2-methoxyethyl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(2-methoxyethyl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methoxyethyl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0499 |
| Compound Name: | 2-(2-methoxyethyl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 548.7 |
| Molecular Formula: | C30 H36 N4 O4 S |
| Smiles: | COCCN1C(C(C(NCCN2CCN(CC2)c2ccc(cc2)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0731 |
| logD: | 2.9053 |
| logSw: | -3.5318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.303 |
| InChI Key: | CQNHJOJAFZYAQQ-UHFFFAOYSA-N |