N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-fluorobenzene-1-sulfonamide
N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V009-0183 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C23 H21 F N4 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(CNS(c2ccc(cc2)F)(=O)=O)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4186 |
| logD: | 4.3913 |
| logSw: | -4.2903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.718 |
| InChI Key: | BIYHDZGVVPPURD-UHFFFAOYSA-N |