N-[(2-fluorophenyl)methyl]-8-nitro-3-(pyrazin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-8-nitro-3-(pyrazin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(2-fluorophenyl)methyl]-8-nitro-3-(pyrazin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
Compound ID: | V003-0992 |
Compound Name: | N-[(2-fluorophenyl)methyl]-8-nitro-3-(pyrazin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
Molecular Weight: | 462.48 |
Molecular Formula: | C24 H23 F N6 O3 |
Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)c1cnccn1)C(NCc1ccccc1F)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.2108 |
logD: | 3.2107 |
logSw: | -3.2991 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.627 |
InChI Key: | HFTHYNLTXYFXIK-UHFFFAOYSA-N |