N-benzyl-3-[(4-chlorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[(4-chlorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-benzyl-3-[(4-chlorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V013-2619 |
| Compound Name: | N-benzyl-3-[(4-chlorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 445.99 |
| Molecular Formula: | C27 H28 Cl N3 O |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccccc12)Cc1ccc(cc1)[Cl])C(NCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.514 |
| logD: | 4.019 |
| logSw: | -4.759 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.5 |
| InChI Key: | XGUUEOUGZUVNIB-UHFFFAOYSA-N |