7-[4-(3,4-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-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V015-0825 |
| Compound Name: | 7-[4-(3,4-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(cc1OC)c1cnc2ncnn2c1N1CCCN(CC1)S(c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5793 |
| logD: | 2.5717 |
| logSw: | -2.8255 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.62 |
| InChI Key: | ULQSGJYGOMNAEB-UHFFFAOYSA-N |