3-benzyl-N-[2-(4-methoxyphenyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-benzyl-N-[2-(4-methoxyphenyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-benzyl-N-[2-(4-methoxyphenyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V001-2354 |
| Compound Name: | 3-benzyl-N-[2-(4-methoxyphenyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C29 H33 N3 O2 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(C2Cc3ccccc3N3CCN(CC23)Cc2ccccc2)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0749 |
| logD: | 3.1409 |
| logSw: | -4.0883 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.882 |
| InChI Key: | KEERVWJSZWWNPK-UHFFFAOYSA-N |