7-[4-(2,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(2,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(2,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V010-0633 |
| Compound Name: | 7-[4-(2,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C26 H30 N6 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7937 |
| logD: | 2.7862 |
| logSw: | -3.2249 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.533 |
| InChI Key: | NEPZPNGDQNIRBX-UHFFFAOYSA-N |