3-[(4-fluorophenyl)methyl]-8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-8696 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C28 H29 F N4 O3 |
| Smiles: | CC(c1ccccc1)NC(C1Cc2cc(ccc2N2CCN(CC12)Cc1ccc(cc1)F)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3055 |
| logD: | 3.6991 |
| logSw: | -4.1012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.042 |
| InChI Key: | WZNBBAUNUWMONR-UHFFFAOYSA-N |