1-(4-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}phenyl)ethan-1-one
1-(4-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | V003-0630 |
| Compound Name: | 1-(4-{4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}phenyl)ethan-1-one |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C26 H28 N6 O5 S |
| Salt: | not_available |
| Smiles: | CC(c1ccc(cc1)S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5151 |
| logD: | 2.5075 |
| logSw: | -2.7208 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.186 |
| InChI Key: | JXCJGEDXVXKBKG-UHFFFAOYSA-N |