N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V002-1268 |
| Compound Name: | N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C25 H26 N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1ccco1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9667 |
| logD: | 3.9643 |
| logSw: | -4.1006 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.891 |
| InChI Key: | XTMTYRQEBFGZMI-UHFFFAOYSA-N |