N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V017-4598 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C27 H27 F2 N3 O |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccccc12)Cc1ccc(cc1)F)C(NCc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1121 |
| logD: | 3.5056 |
| logSw: | -4.1754 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.4969 |
| InChI Key: | IXPQYWBERNZOIL-UHFFFAOYSA-N |