rel-(3R,4R)-1-[(2-chloro-6-fluorophenyl)acetyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[(2-chloro-6-fluorophenyl)acetyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[(2-chloro-6-fluorophenyl)acetyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0583 |
| Compound Name: | rel-(3R,4R)-1-[(2-chloro-6-fluorophenyl)acetyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 379.82 |
| Molecular Formula: | C17 H19 Cl F N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(NC)=O)C(Cc2c(cccc2[Cl])F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9971 |
| logD: | 0.9965 |
| logSw: | -2.5966 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.825 |
| InChI Key: | CVZQMMBGQOOFLT-VXGBXAGGSA-N |