[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl](1-methyl-1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl](1-methyl-1H-pyrazol-3-yl)methanone
[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl](1-methyl-1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | SB34-0470 |
| Compound Name: | [rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl](1-methyl-1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 354.39 |
| Molecular Formula: | C18 H19 F N6 O |
| Smiles: | Cn1ccc(C(N2C[C@@H](CF)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.419 |
| logD: | 1.4147 |
| logSw: | -2.0433 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.325 |
| InChI Key: | XXIDOZCSKFMKLT-KBPBESRZSA-N |