N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0536 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethyl)-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: | COCCN1C(C(C(NCCCN2CCN(CC2)Cc2ccccc2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7734 |
| logD: | 1.9538 |
| logSw: | -3.3829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.04 |
| InChI Key: | VVOUDPOJJXOYGZ-UHFFFAOYSA-N |