3-[(4-chlorophenyl)methyl]-9-methoxy-N-(3-methylbutyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-9-methoxy-N-(3-methylbutyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-9-methoxy-N-(3-methylbutyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V004-0520 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-9-methoxy-N-(3-methylbutyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 456.03 |
| Molecular Formula: | C26 H34 Cl N3 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCNC(C1Cc2ccc(cc2N2CCN(CC12)Cc1ccc(cc1)[Cl])OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1244 |
| logD: | 4.6299 |
| logSw: | -5.554 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.154 |
| InChI Key: | IJDNGSDGRNZCKZ-UHFFFAOYSA-N |