7-{2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-{2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-{2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S911-0294 |
| Compound Name: | 7-{2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl}-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | COCC1CCN(CC1)C(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6886 |
| logD: | 1.6882 |
| logSw: | -1.1909 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.578 |
| InChI Key: | TXKVDWKLUBUWGU-QGZVFWFLSA-N |