rel-(3aR,6aR)-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0509 |
| Compound Name: | rel-(3aR,6aR)-2-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C22 H27 N5 O5 |
| Smiles: | Cc1c(COC)c(C(N2C[C@@H]3CN(C[C@@]3(C2)C(N(C)C)=O)C(c2ccncc2)=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.0359 |
| logD: | -1.0383 |
| logSw: | -0.6666 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.814 |
| InChI Key: | UBVLAZKDEXREDB-KSFYIVLOSA-N |