1-{4-[9-methoxy-3-(4-methylphenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[9-methoxy-3-(4-methylphenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[9-methoxy-3-(4-methylphenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V018-0519 |
| Compound Name: | 1-{4-[9-methoxy-3-(4-methylphenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C27 H34 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(C1Cc2ccc(cc2N2CCN(CC12)c1ccc(C)cc1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6555 |
| logD: | 3.6529 |
| logSw: | -3.9668 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.191 |
| InChI Key: | SECXIBRHUPYGNI-UHFFFAOYSA-N |