rel-(3aR,6aR)-N,N-dimethyl-2-[(3-methylthiophen-2-yl)methyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-[(3-methylthiophen-2-yl)methyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-[(3-methylthiophen-2-yl)methyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0435 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-[(3-methylthiophen-2-yl)methyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | Cc1ccsc1CN1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7359 |
| logD: | -3.2559 |
| logSw: | -1.4221 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.261 |
| InChI Key: | YGDAWRAOICGPJA-UTKZUKDTSA-N |