3-(5-chloro-2-methoxyphenyl)-N-[(3-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-N-[(3-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(5-chloro-2-methoxyphenyl)-N-[(3-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-1407 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-N-[(3-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 524.98 |
| Molecular Formula: | C27 H26 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1cccc(c1)F)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7713 |
| logD: | 4.7712 |
| logSw: | -5.0247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.928 |
| InChI Key: | LGFYGNRXFNUZPQ-UHFFFAOYSA-N |