3-cyclopentyl-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-cyclopentyl-N-[(3-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-cyclopentyl-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: | V008-5748 |
| Compound Name: | 3-cyclopentyl-N-[(3-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C25 H29 F N4 O3 |
| Salt: | not_available |
| Smiles: | C1CCC(C1)N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7 |
| logD: | 1.4643 |
| logSw: | -3.9315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.797 |
| InChI Key: | XDVBUQZPVWDLFD-UHFFFAOYSA-N |