2,3-diethoxy-8-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
2,3-diethoxy-8-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-diethoxy-8-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0228 |
| Compound Name: | 2,3-diethoxy-8-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 548.73 |
| Molecular Formula: | C32 H44 N4 O4 |
| Smiles: | CCCN1CCN(CCCNC(C2C3c4cc(c(cc4CCN3C(c3ccccc23)=O)OCC)OCC)=O)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1306 |
| logD: | 1.1658 |
| logSw: | -3.0004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.394 |
| InChI Key: | MTROIPHDJUTULN-UHFFFAOYSA-N |