N-[(4-fluorophenyl)methyl]-9-methoxy-3-(2-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-9-methoxy-3-(2-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(4-fluorophenyl)methyl]-9-methoxy-3-(2-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V004-0721 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-9-methoxy-3-(2-methoxyphenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C28 H30 F N3 O3 |
| Smiles: | COc1ccc2CC(C3CN(CCN3c2c1)c1ccccc1OC)C(NCc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4401 |
| logD: | 4.4384 |
| logSw: | -4.1652 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.09 |
| InChI Key: | QZHMLLXFIGMNRD-UHFFFAOYSA-N |