N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0650 |
| Compound Name: | N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 532.71 |
| Molecular Formula: | C30 H36 N4 O3 S |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC(C1C(c2cccs2)N(CCOC)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0987 |
| logD: | 2.167 |
| logSw: | -3.5194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.623 |
| InChI Key: | SPXNBAAQUJGQOD-UHFFFAOYSA-N |