[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](thiophen-2-yl)methanone
[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SB34-0231 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C18 H23 F N4 O S |
| Smiles: | C1CCC(CC1)c1nc([C@@H]2CN(C[C@H]2CF)C(c2cccs2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3527 |
| logD: | 3.3516 |
| logSw: | -3.4454 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.843 |
| InChI Key: | BYJGYLIEDYOICW-KBPBESRZSA-N |