rel-(3R,4R)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0558 |
| Compound Name: | rel-(3R,4R)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(NC)=O)C(CCCc2c[nH]c3ccccc23)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9478 |
| logD: | 0.9473 |
| logSw: | -2.2933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.696 |
| InChI Key: | FPBAZMBTWIPERF-IRXDYDNUSA-N |