[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](pyridin-3-yl)methanone
Chemical Structure Depiction of
[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](pyridin-3-yl)methanone
[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](pyridin-3-yl)methanone
Compound characteristics
Compound ID: | SB47-0725 |
Compound Name: | [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](pyridin-3-yl)methanone |
Molecular Weight: | 408.52 |
Molecular Formula: | C21 H24 N6 O S |
Smiles: | Cc1nc([C@]23CN(Cc4ccc(C)s4)C[C@@H]3CN(C2)C(c2cccnc2)=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.6151 |
logD: | -3.962 |
logSw: | -1.8642 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.747 |
InChI Key: | PSULYUJGLDFQJM-UTKZUKDTSA-N |