1-[rel-(3aR,6aR)-5-(1-ethyl-1H-pyrazole-3-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(1-ethyl-1H-pyrazole-3-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-5-(1-ethyl-1H-pyrazole-3-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S985-0293 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(1-ethyl-1H-pyrazole-3-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C21 H31 N5 O3 |
| Smiles: | CCn1ccc(C(N2C[C@@H]3CN(C[C@@]3(C2)C(N2CCCC2)=O)C(C(C)C)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8279 |
| logD: | 0.8279 |
| logSw: | -1.4051 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.4 |
| InChI Key: | SPVAQDFDXCACNW-IERDGZPVSA-N |