7-[4-(4-butylbenzene-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-(4-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(4-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-7206 |
| Compound Name: | 7-[4-(4-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 550.68 |
| Molecular Formula: | C28 H34 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9422 |
| logD: | 4.9347 |
| logSw: | -4.6144 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.359 |
| InChI Key: | YWQFWUGATDMGDO-UHFFFAOYSA-N |