3-(4-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(4-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V013-8066 |
| Compound Name: | 3-(4-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 500 |
| Molecular Formula: | C25 H30 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)c1ccc(cc1)[Cl])C(NCCN1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1407 |
| logD: | 3.05 |
| logSw: | -3.5641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.331 |
| InChI Key: | XPFYFKGIEMHGLY-UHFFFAOYSA-N |