N-(2,4-difluorophenyl)-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(2,4-difluorophenyl)-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0475 |
| Compound Name: | N-(2,4-difluorophenyl)-2-[(3-fluorophenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 416.4 |
| Molecular Formula: | C21 H19 F3 N4 O2 |
| Smiles: | C1CCC2=NN(Cc3cccc(c3)F)C(N2C(C1)C(Nc1ccc(cc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7257 |
| logD: | 3.6961 |
| logSw: | -4.04 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.613 |
| InChI Key: | ZCZAITDIAYMKFI-SFHVURJKSA-N |