2-[(3-fluorophenyl)methyl]-3-oxo-N-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0563 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-3-oxo-N-(prop-2-en-1-yl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C18 H21 F N4 O2 |
| Smiles: | C=CCNC(C1CCCCC2=NN(Cc3cccc(c3)F)C(N12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2666 |
| logD: | 2.2666 |
| logSw: | -2.6865 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.746 |
| InChI Key: | JDVVBOJPUBNKMH-HNNXBMFYSA-N |