rel-(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | SB47-0902 |
| Compound Name: | rel-(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-N-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C18 H27 N7 O S |
| Smiles: | CC(C)NC(N1C[C@H]2CN(Cc3c(C)ncs3)C[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.441 |
| logD: | -3.0349 |
| logSw: | -2.3471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.805 |
| InChI Key: | SZSBCWHDKHOIES-KDOFPFPSSA-N |