9-fluoro-N-[4-(heptyloxy)phenyl]-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Chemical Structure Depiction of
9-fluoro-N-[4-(heptyloxy)phenyl]-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
9-fluoro-N-[4-(heptyloxy)phenyl]-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Compound characteristics
| Compound ID: | V006-1133 |
| Compound Name: | 9-fluoro-N-[4-(heptyloxy)phenyl]-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C26 H32 F N3 O3 |
| Smiles: | CCCCCCCOc1ccc(cc1)NC(N1CC2c3ccc(cc3CCN2C(C1)=O)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7565 |
| logD: | 5.7565 |
| logSw: | -5.3016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.233 |
| InChI Key: | KZDLQYORYINGQG-DEOSSOPVSA-N |