N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-1197 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C27 H27 F N4 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2451 |
| logD: | 4.2427 |
| logSw: | -4.2253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.142 |
| InChI Key: | STHXLDODADTJIA-UHFFFAOYSA-N |