1-[rel-(3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
1-[rel-(3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | SB47-0145 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C18 H25 N5 O S |
| Smiles: | CCC(N1C[C@H]2CN(Cc3ccc(C)s3)C[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.151 |
| logD: | -3.5423 |
| logSw: | -2.6274 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.974 |
| InChI Key: | IFUQGPWVYAFUEE-KDOFPFPSSA-N |