N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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: | S894-0550 |
| Compound Name: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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: | 413.45 |
| Molecular Formula: | C21 H24 F N5 O3 |
| Smiles: | Cc1c(CNC(C2CCCCC3=NN(Cc4cccc(c4)F)C(N23)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4576 |
| logD: | 2.4576 |
| logSw: | -2.6553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.672 |
| InChI Key: | WIESPANUWIUASN-SFHVURJKSA-N |