3-(5-chloro-2-methoxyphenyl)-N-ethyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-N-ethyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(5-chloro-2-methoxyphenyl)-N-ethyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-1442 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-N-ethyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C22 H25 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCNC(C1Cc2cc(ccc2N2CCN(CC12)c1cc(ccc1OC)[Cl])[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6069 |
| logD: | 3.6067 |
| logSw: | -3.9671 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.825 |
| InChI Key: | HEJUSBYOZKGKKY-UHFFFAOYSA-N |