N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-fluorophenyl)methanesulfonamide
N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1787 |
| Compound Name: | N-({4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C20 H21 F N4 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6174 |
| logD: | 2.6174 |
| logSw: | -2.8765 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.778 |
| InChI Key: | HXXXDLQSCGSTJA-UHFFFAOYSA-N |