N-cyclohexyl-8-nitro-3-(pyridin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-8-nitro-3-(pyridin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-cyclohexyl-8-nitro-3-(pyridin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V031-1247 |
| Compound Name: | N-cyclohexyl-8-nitro-3-(pyridin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)NC(C1Cc2cc(ccc2N2CCN(CC12)c1ccccn1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1889 |
| logD: | 4.1885 |
| logSw: | -4.2367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.835 |
| InChI Key: | TVLGBKIXAHXMPD-UHFFFAOYSA-N |