N-benzyl-3-[(4-chlorophenyl)methyl]-9-methoxy-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]-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-benzyl-3-[(4-chlorophenyl)methyl]-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V018-0460 |
| Compound Name: | N-benzyl-3-[(4-chlorophenyl)methyl]-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 476.02 |
| Molecular Formula: | C28 H30 Cl N3 O2 |
| Salt: | not_available |
| Smiles: | COc1ccc2CC(C3CN(CCN3c2c1)Cc1ccc(cc1)[Cl])C(NCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.858 |
| logD: | 4.3635 |
| logSw: | -4.9055 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.041 |
| InChI Key: | ZEFCGJSJTKYJJU-UHFFFAOYSA-N |