rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-1004 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C26 H33 N3 O3 |
| Smiles: | CC(C)Oc1ccc(CN2C[C@@H]3CN(C[C@@]3(C2)C(N(C)C)=O)C(c2ccccc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2597 |
| logD: | -1.8786 |
| logSw: | -2.4127 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.617 |
| InChI Key: | IEMBLEOCGYHUCV-GJZUVCINSA-N |