N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-4-methoxy-N-(4-methoxybenzene-1-sulfonyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-4-methoxy-N-(4-methoxybenzene-1-sulfonyl)benzene-1-sulfonamide
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-4-methoxy-N-(4-methoxybenzene-1-sulfonyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8013-1046 |
| Compound Name: | N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-4-methoxy-N-(4-methoxybenzene-1-sulfonyl)benzene-1-sulfonamide |
| Molecular Weight: | 532.6 |
| Molecular Formula: | C22 H24 N6 O6 S2 |
| Smiles: | Cc1cc(C)n(c2nnc(C)n2N(S(c2ccc(cc2)OC)(=O)=O)S(c2ccc(cc2)OC)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1017 |
| logD: | 2.1017 |
| logSw: | -2.5342 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 118.851 |
| InChI Key: | FFSOHESYQNIQAT-UHFFFAOYSA-N |