3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V031-1525 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C24 H30 F N3 O |
| Smiles: | CC(C)CNC(C1Cc2ccccc2N2CCN(CC12)Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8585 |
| logD: | 3.252 |
| logSw: | -3.9093 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.7684 |
| InChI Key: | ATJSGHZSKHAGRG-UHFFFAOYSA-N |