rel-(3aR,6aR)-2-(2,4-dimethylbenzoyl)-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-(2,4-dimethylbenzoyl)-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-(2,4-dimethylbenzoyl)-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0326 |
| Compound Name: | rel-(3aR,6aR)-2-(2,4-dimethylbenzoyl)-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C24 H30 N4 O2 |
| Smiles: | Cc1ccc(C(N2C[C@@H]3CN(Cc4cccnc4)C[C@@]3(C2)C(N(C)C)=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4097 |
| logD: | -2.3471 |
| logSw: | -1.5359 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.332 |
| InChI Key: | LQPOMQOPIJBMOI-YKSBVNFPSA-N |