[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](oxan-4-yl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](oxan-4-yl)methanone
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](oxan-4-yl)methanone
Compound characteristics
| Compound ID: | SB34-0194 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](oxan-4-yl)methanone |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C16 H23 F N4 O2 |
| Smiles: | C1COCCC1C(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)=O |
| Stereo: | RELATIVE |
| logP: | 1.2727 |
| logD: | 1.2525 |
| logSw: | -2.1765 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.257 |
| InChI Key: | MNVWUFBZQZMSNQ-STQMWFEESA-N |