3-(5-chloro-2-methoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-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-[3-(morpholin-4-yl)propyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(5-chloro-2-methoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-1359 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-N-[3-(morpholin-4-yl)propyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 544.05 |
| Molecular Formula: | C27 H34 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCCN1CCOCC1)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0428 |
| logD: | 2.6193 |
| logSw: | -3.5054 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.66 |
| InChI Key: | AEHGSFKHEQHUEG-UHFFFAOYSA-N |