rel-(3aR,6aR)-N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0438 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C20 H25 N5 O2 S |
| Smiles: | Cc1c(CN2C[C@@H]3CN(C[C@@]3(C2)C(N(C)C)=O)C(c2ccncc2)=O)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.243 |
| logD: | -4.638 |
| logSw: | -1.3683 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.447 |
| InChI Key: | OUUVJFPHDHQGLK-UZLBHIALSA-N |