3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V001-9916 |
| Compound Name: | 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 506.04 |
| Molecular Formula: | C29 H32 Cl N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(C2Cc3ccccc3N3CCN(CC23)c2ccccc2[Cl])=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4313 |
| logD: | 4.4313 |
| logSw: | -4.5843 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.018 |
| InChI Key: | PPBQKJVSLFSVMW-UHFFFAOYSA-N |