N-{2-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-2,5-dimethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-2,5-dimethoxybenzene-1-sulfonamide
N-{2-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-2,5-dimethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G718-0816 |
| Compound Name: | N-{2-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]ethyl}-2,5-dimethoxybenzene-1-sulfonamide |
| Molecular Weight: | 406.43 |
| Molecular Formula: | C18 H19 F N4 O4 S |
| Smiles: | COc1ccc(c(c1)S(NCCc1nc(c2ccc(cc2)F)[nH]n1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8726 |
| logD: | 2.8602 |
| logSw: | -3.5321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.788 |
| InChI Key: | AGQNAZAXXWAABE-UHFFFAOYSA-N |