N-ethyl-2-[(3-fluorophenyl)methyl]-3-oxo-N-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-ethyl-2-[(3-fluorophenyl)methyl]-3-oxo-N-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-ethyl-2-[(3-fluorophenyl)methyl]-3-oxo-N-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0470 |
| Compound Name: | N-ethyl-2-[(3-fluorophenyl)methyl]-3-oxo-N-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C23 H26 F N5 O2 |
| Smiles: | CCN(Cc1ccncc1)C(C1CCCCC2=NN(Cc3cccc(c3)F)C(N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4031 |
| logD: | 2.3845 |
| logSw: | -2.3589 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.584 |
| InChI Key: | LKLDOOXXWCAACG-FQEVSTJZSA-N |