3-(4-methoxyphenyl)-8-nitro-N-(prop-2-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(4-methoxyphenyl)-8-nitro-N-(prop-2-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(4-methoxyphenyl)-8-nitro-N-(prop-2-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V031-3081 |
| Compound Name: | 3-(4-methoxyphenyl)-8-nitro-N-(prop-2-en-1-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCC=C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3709 |
| logD: | 3.3685 |
| logSw: | -3.595 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.255 |
| InChI Key: | CFUPMMGLQITUFV-UHFFFAOYSA-N |