1-benzyl-4a-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,4,4a,5,6,7-hexahydroquinolin-2(1H)-one
Chemical Structure Depiction of
1-benzyl-4a-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,4,4a,5,6,7-hexahydroquinolin-2(1H)-one
1-benzyl-4a-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,4,4a,5,6,7-hexahydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | T853-0751 |
| Compound Name: | 1-benzyl-4a-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,4,4a,5,6,7-hexahydroquinolin-2(1H)-one |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | C1CC=C2C(C1)(CCC(N2Cc1ccccc1)=O)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7584 |
| logD: | 3.7584 |
| logSw: | -3.9059 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.901 |
| InChI Key: | NUNHVOOTFSIFRE-RUZDIDTESA-N |