N-(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide
N-(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G718-1073 |
| Compound Name: | N-(2-{5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C19 H21 F N4 O4 S |
| Smiles: | COc1ccc(c(c1)S(NCCc1nc(Cc2ccc(cc2)F)[nH]n1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9691 |
| logD: | 2.9677 |
| logSw: | -3.4904 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.778 |
| InChI Key: | XBXXAUSVHFECST-UHFFFAOYSA-N |