N-[(5-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(5-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-1078 |
| Compound Name: | N-[(5-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 450.55 |
| Molecular Formula: | C20 H23 F N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCCOc1ccccc1F)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8667 |
| logD: | 2.8667 |
| logSw: | -3.3087 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.121 |
| InChI Key: | JWWBMEWTYFORSB-UHFFFAOYSA-N |