rel-(6aR,9aR)-N-cyclohexyl-1-(4-fluorophenyl)-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepine-8(4H)-carboxamide
Chemical Structure Depiction of
rel-(6aR,9aR)-N-cyclohexyl-1-(4-fluorophenyl)-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepine-8(4H)-carboxamide
rel-(6aR,9aR)-N-cyclohexyl-1-(4-fluorophenyl)-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepine-8(4H)-carboxamide
Compound characteristics
| Compound ID: | SB05-0005 |
| Compound Name: | rel-(6aR,9aR)-N-cyclohexyl-1-(4-fluorophenyl)-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepine-8(4H)-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C22 H28 F N5 O |
| Smiles: | C1CCC(CC1)NC(N1C[C@H]2CCCc3nnc(c4ccc(cc4)F)n3[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6166 |
| logD: | 3.6163 |
| logSw: | -3.7808 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.335 |
| InChI Key: | GZQZJMPVGFNIGC-APWZRJJASA-N |