4-(3,4-dimethylbenzene-1-sulfonyl)-1-(3-fluorophenyl)-5-methyl-1H-1,2,3-triazole
Chemical Structure Depiction of
4-(3,4-dimethylbenzene-1-sulfonyl)-1-(3-fluorophenyl)-5-methyl-1H-1,2,3-triazole
4-(3,4-dimethylbenzene-1-sulfonyl)-1-(3-fluorophenyl)-5-methyl-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | C595-0856 |
| Compound Name: | 4-(3,4-dimethylbenzene-1-sulfonyl)-1-(3-fluorophenyl)-5-methyl-1H-1,2,3-triazole |
| Molecular Weight: | 345.39 |
| Molecular Formula: | C17 H16 F N3 O2 S |
| Smiles: | Cc1ccc(cc1C)S(c1c(C)n(c2cccc(c2)F)nn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8396 |
| logD: | 3.8396 |
| logSw: | -3.9518 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.357 |
| InChI Key: | RLPVZKWPHBOEOA-UHFFFAOYSA-N |