[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](thiophen-3-yl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](thiophen-3-yl)methanone
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | SB34-0157 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](thiophen-3-yl)methanone |
| Molecular Weight: | 320.39 |
| Molecular Formula: | C15 H17 F N4 O S |
| Smiles: | C1CC1c1nc([C@@H]2CN(C[C@H]2CF)C(c2ccsc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8281 |
| logD: | 1.8263 |
| logSw: | -2.4721 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.174 |
| InChI Key: | JJPZRNQKFFUVEQ-VXGBXAGGSA-N |