rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(1-methyl-1H-indazole-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(1-methyl-1H-indazole-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(1-methyl-1H-indazole-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0957 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(1-methyl-1H-indazole-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | CN(C)C([C@@]12CN(C[C@H]2CN(C1)C(c1c2ccccc2n(C)n1)=O)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7806 |
| logD: | 0.7806 |
| logSw: | -1.5165 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.266 |
| InChI Key: | KSSWLSMUHVNCIK-AVRWGWEMSA-N |