1-[rel-(6aR,9aR)-1-(4-fluorophenyl)-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepin-8(4H)-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[rel-(6aR,9aR)-1-(4-fluorophenyl)-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepin-8(4H)-yl]-3-methylbutan-1-one
1-[rel-(6aR,9aR)-1-(4-fluorophenyl)-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepin-8(4H)-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | SB05-0013 |
| Compound Name: | 1-[rel-(6aR,9aR)-1-(4-fluorophenyl)-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepin-8(4H)-yl]-3-methylbutan-1-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C20 H25 F N4 O |
| Smiles: | CC(C)CC(N1C[C@H]2CCCc3nnc(c4ccc(cc4)F)n3[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8921 |
| logD: | 2.8918 |
| logSw: | -3.2078 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.211 |
| InChI Key: | LVBLIZLCIJBKMB-WBVHZDCISA-N |