3-(5-chloro-2-methoxyphenyl)-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(5-chloro-2-methoxyphenyl)-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-1383 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C25 H29 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCC1CCCO1)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.483 |
| logD: | 3.4829 |
| logSw: | -3.9253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.582 |
| InChI Key: | WDHJGWUYKJLOAW-UHFFFAOYSA-N |