rel-(3aR,6aR)-5-benzyl-N~2~-(3-ethylphenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-benzyl-N~2~-(3-ethylphenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
rel-(3aR,6aR)-5-benzyl-N~2~-(3-ethylphenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
Compound characteristics
| Compound ID: | S985-1171 |
| Compound Name: | rel-(3aR,6aR)-5-benzyl-N~2~-(3-ethylphenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C25 H32 N4 O2 |
| Smiles: | CCc1cccc(c1)NC(N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C1)C(N(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8867 |
| logD: | -1.2524 |
| logSw: | -3.2197 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.635 |
| InChI Key: | FTKOJRSUTPSEQY-BWKNWUBXSA-N |