[rel-(3aR,6aR)-5-(3-fluoro-4-methylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-(3-fluoro-4-methylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
[rel-(3aR,6aR)-5-(3-fluoro-4-methylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB47-0740 |
| Compound Name: | [rel-(3aR,6aR)-5-(3-fluoro-4-methylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H23 F N6 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)n[nH]1)C(c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2565 |
| logD: | 1.2562 |
| logSw: | -1.5677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.645 |
| InChI Key: | INIFSTVQPFBVCU-JPYJTQIMSA-N |