N-(4-fluorophenyl)-N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)methanesulfonamide
N-(4-fluorophenyl)-N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1783 |
| Compound Name: | N-(4-fluorophenyl)-N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)methanesulfonamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C19 H19 F N4 O3 S2 |
| Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0029 |
| logD: | 2.0029 |
| logSw: | -2.5009 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.863 |
| InChI Key: | LAIJIOBKQFTRHK-UHFFFAOYSA-N |