2-[(3,5-difluorophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-[(3,5-difluorophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[(3,5-difluorophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S336-0198 |
| Compound Name: | 2-[(3,5-difluorophenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 279.29 |
| Molecular Formula: | C14 H15 F2 N3 O |
| Smiles: | C1CCC2=NN(Cc3cc(cc(c3)F)F)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0783 |
| logD: | 3.0783 |
| logSw: | -2.9737 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.516 |
| InChI Key: | OPPHPTNTBFRTGI-UHFFFAOYSA-N |