rel-(3aR,6aR)-2-[(4-chlorophenyl)acetyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[(4-chlorophenyl)acetyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-[(4-chlorophenyl)acetyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0426 |
| Compound Name: | rel-(3aR,6aR)-2-[(4-chlorophenyl)acetyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Smiles: | CN(C)C([C@]12CN(C[C@@H]2CN(C1)C(c1ccncc1)=O)C(Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8015 |
| logD: | 0.7991 |
| logSw: | -2.0918 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.631 |
| InChI Key: | DIRNCCAJBVSCBK-JPYJTQIMSA-N |