3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V013-2599 |
| Compound Name: | 3-methyl-8-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 448.44 |
| Molecular Formula: | C22 H23 F3 N4 O3 |
| Smiles: | CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0534 |
| logD: | 1.1799 |
| logSw: | -3.3788 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.814 |
| InChI Key: | CCWPZKCEHRABPU-UHFFFAOYSA-N |