2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-methylthiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-methylthiophen-2-yl)ethan-1-one
2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-methylthiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8012-4461 |
| Compound Name: | 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-methylthiophen-2-yl)ethan-1-one |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C21 H16 F N3 O S2 |
| Smiles: | Cc1ccc(C(CSc2nnc(c3cccc(c3)F)n2c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5842 |
| logD: | 5.5842 |
| logSw: | -5.4571 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.978 |
| InChI Key: | NJMDXYHTVAHJPV-UHFFFAOYSA-N |