N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-8685 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 548.61 |
| Molecular Formula: | C30 H33 F N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(C2Cc3cc(ccc3N3CCN(CC23)Cc2ccc(cc2)F)[N+]([O-])=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4836 |
| logD: | 2.8771 |
| logSw: | -3.6914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.981 |
| InChI Key: | HZSHVAXHIWMKJO-UHFFFAOYSA-N |