1-benzyl-4a-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4,4a,5,6,7-hexahydroquinolin-2(1H)-one
Chemical Structure Depiction of
1-benzyl-4a-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4,4a,5,6,7-hexahydroquinolin-2(1H)-one
1-benzyl-4a-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4,4a,5,6,7-hexahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T853-0659 |
| Compound Name: | 1-benzyl-4a-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4,4a,5,6,7-hexahydroquinolin-2(1H)-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C26 H30 N4 O2 |
| Smiles: | C1CC=C2C(C1)(CCC(N2Cc1ccccc1)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2614 |
| logD: | 4.2525 |
| logSw: | -4.1697 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.05 |
| InChI Key: | XGISCNGHUVIQLM-AREMUKBSSA-N |