rel-(3R,4R)-N-(2-bromophenyl)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-(2-bromophenyl)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
rel-(3R,4R)-N-(2-bromophenyl)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB34-1326 |
| Compound Name: | rel-(3R,4R)-N-(2-bromophenyl)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 382.23 |
| Molecular Formula: | C15 H17 Br F N5 O |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2CF)C(Nc2ccccc2[Br])=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1066 |
| logD: | 2.106 |
| logSw: | -2.9326 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.64 |
| InChI Key: | GUSIONKHXIVGSH-GHMZBOCLSA-N |