N-[3-(4-benzylpiperazin-1-yl)propyl]-2-cyclopentyl-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-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1216 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 556.77 |
| Molecular Formula: | C33 H40 N4 O2 S |
| Smiles: | C1CCC(C1)N1C(C(C(NCCCN2CCN(CC2)Cc2ccccc2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9809 |
| logD: | 3.1612 |
| logSw: | -4.149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.035 |
| InChI Key: | ZMIGMFWBUIHALR-UHFFFAOYSA-N |