1-[rel-(3aR,6aR)-5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
Compound ID: | S987-0582 |
Compound Name: | 1-[rel-(3aR,6aR)-5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
Molecular Weight: | 429.52 |
Molecular Formula: | C22 H31 N5 O4 |
Smiles: | CCn1c(C)c(c(C)n1)c1cc(C(N2C[C@H]3CN(C[C@]3(C2)CO)C(C(C)C)=O)=O)no1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.8449 |
logD: | 0.8449 |
logSw: | -0.9892 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 86.929 |
InChI Key: | VVBJFTBDERDDQF-AOMKIAJQSA-N |