2-[(3-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
2-[(3-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0570 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-3-oxo-N-[(pyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C21 H22 F N5 O2 |
| Smiles: | C1CCC2=NN(Cc3cccc(c3)F)C(N2C(C1)C(NCc1ccccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.202 |
| logD: | 2.2015 |
| logSw: | -2.6172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.176 |
| InChI Key: | TVBHMMPWQCXDHF-SFHVURJKSA-N |