rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(5-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(5-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(5-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0929 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(5-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | Cc1ccc(CN2C[C@@H]3CN(C[C@@]3(C2)C(N(C)C)=O)C(c2ccccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9841 |
| logD: | -3.2519 |
| logSw: | -2.3185 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.832 |
| InChI Key: | DWYWADHQAHWVFR-GCJKJVERSA-N |