N-{[5-amino-1-(2,5-dimethoxybenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-2,5-dimethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-{[5-amino-1-(2,5-dimethoxybenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-2,5-dimethoxybenzene-1-sulfonamide
N-{[5-amino-1-(2,5-dimethoxybenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-2,5-dimethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | C908-0174 |
| Compound Name: | N-{[5-amino-1-(2,5-dimethoxybenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-2,5-dimethoxybenzene-1-sulfonamide |
| Molecular Weight: | 513.55 |
| Molecular Formula: | C19 H23 N5 O8 S2 |
| Smiles: | COc1ccc(c(c1)S(NCc1nc(N)n(n1)S(c1cc(ccc1OC)OC)(=O)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.1197 |
| logD: | 1.0914 |
| logSw: | -2.4488 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 144.222 |
| InChI Key: | LFDPTEUBYOXJOZ-UHFFFAOYSA-N |