(1H-benzimidazol-5-yl)[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
Chemical Structure Depiction of
(1H-benzimidazol-5-yl)[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
(1H-benzimidazol-5-yl)[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
Compound characteristics
| Compound ID: | S988-1023 |
| Compound Name: | (1H-benzimidazol-5-yl)[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C19 H22 N6 O4 S |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(c1ccc2c(c1)nc[nH]2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2331 |
| logD: | 0.2252 |
| logSw: | -2.4581 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.778 |
| InChI Key: | WJSUVTXMISHNKO-KUHUBIRLSA-N |