2-[(pyridin-4-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-[(pyridin-4-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[(pyridin-4-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0476 |
| Compound Name: | 2-[(pyridin-4-yl)methyl]-7-(pyrrolidine-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C18 H23 N5 O2 |
| Smiles: | C1CCN(C1)C(C1CCC2=NN(Cc3ccncc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0736 |
| logD: | 1.0702 |
| logSw: | -1.4564 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.958 |
| InChI Key: | YPRLBBUBTZETEB-OAHLLOKOSA-N |