N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1790 |
| Compound Name: | N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 482.98 |
| Molecular Formula: | C20 H20 Cl F N4 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3172 |
| logD: | 3.3172 |
| logSw: | -3.8977 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.778 |
| InChI Key: | MJNBHQRUELQPED-UHFFFAOYSA-N |