N-(3-methoxyphenyl)-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(3-methoxyphenyl)-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V009-2978 |
| Compound Name: | N-(3-methoxyphenyl)-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C21 H24 N4 O4 |
| Smiles: | CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(Nc1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8452 |
| logD: | 1.0289 |
| logSw: | -3.3516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.036 |
| InChI Key: | YCHYMPBQOWVWNX-UHFFFAOYSA-N |