rel-(6aR,9aR)-8-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,6,6a,7,8,9,9a-octahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepine
Chemical Structure Depiction of
rel-(6aR,9aR)-8-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,6,6a,7,8,9,9a-octahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepine
rel-(6aR,9aR)-8-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,6,6a,7,8,9,9a-octahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | SB05-0009 |
| Compound Name: | rel-(6aR,9aR)-8-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,6,6a,7,8,9,9a-octahydropyrrolo[3,4-f][1,2,4]triazolo[4,3-a]azepine |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C21 H21 F N4 O2 S |
| Smiles: | C1Cc2nnc(c3ccc(cc3)F)n2[C@H]2CN(C[C@H]2C1)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9415 |
| logD: | 2.9414 |
| logSw: | -3.3985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.53 |
| InChI Key: | FGJXSENEMKXAKQ-QFBILLFUSA-N |