3-(5-chloro-2-methoxyphenyl)-N-[(3-fluorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-N-[(3-fluorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(5-chloro-2-methoxyphenyl)-N-[(3-fluorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-5723 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-N-[(3-fluorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C27 H27 Cl F N3 O2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN2C(C1)C(Cc1ccccc12)C(NCc1cccc(c1)F)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9264 |
| logD: | 4.9262 |
| logSw: | -4.9832 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.546 |
| InChI Key: | LCXMYQYRZRECKF-UHFFFAOYSA-N |