3-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-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: | V001-0080 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C27 H26 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)Cc1ccc(cc1)[Cl])C(NCc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5227 |
| logD: | 4.0282 |
| logSw: | -4.7772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.878 |
| InChI Key: | VHQUWTYIVJNEKO-UHFFFAOYSA-N |