2-(2-methylpropyl)-1-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(2-methylpropyl)-1-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methylpropyl)-1-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0888 |
| Compound Name: | 2-(2-methylpropyl)-1-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 496.72 |
| Molecular Formula: | C28 H40 N4 O2 S |
| Smiles: | CCCN1CCN(CCCNC(C2C(c3cccs3)N(CC(C)C)C(c3ccccc23)=O)=O)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4073 |
| logD: | 2.4425 |
| logSw: | -3.732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.969 |
| InChI Key: | GSVSIQXJLGPQEP-UHFFFAOYSA-N |