N-(3-methylbutyl)-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(3-methylbutyl)-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-4657 |
| Compound Name: | N-(3-methylbutyl)-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H32 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCNC(C1Cc2cc(ccc2N2CCN(CC12)c1ccc(C)cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9235 |
| logD: | 4.9214 |
| logSw: | -4.5537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.711 |
| InChI Key: | ZXUAVKCNRFVRQU-UHFFFAOYSA-N |