2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V018-7950 |
| Compound Name: | 2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C18 H17 F N4 O2 S |
| Smiles: | C1CCN(C1)C(CSc1nnc(c2ccco2)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.81 |
| logD: | 2.81 |
| logSw: | -3.0173 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.049 |
| InChI Key: | MTQJBMZNRATHRO-UHFFFAOYSA-N |