rel-(3R,4R)-N,N-diethyl-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N,N-diethyl-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
rel-(3R,4R)-N,N-diethyl-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB34-0421 |
| Compound Name: | rel-(3R,4R)-N,N-diethyl-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C18 H24 F N5 O |
| Smiles: | CCN(CC)C(N1C[C@@H](CF)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8805 |
| logD: | 2.8761 |
| logSw: | -3.1124 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.722 |
| InChI Key: | SHJBKHVMSBMKMU-GJZGRUSLSA-N |