7-[4-(2,4-dichlorobenzene-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-(2,4-dichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(2,4-dichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | V003-0691 |
Compound Name: | 7-[4-(2,4-dichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 563.46 |
Molecular Formula: | C24 H24 Cl2 N6 O4 S |
Salt: | not_available |
Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCCN(CC1)S(c1ccc(cc1[Cl])[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9701 |
logD: | 3.9625 |
logSw: | -4.392 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 81.359 |
InChI Key: | FOBQUAFKHNYZES-UHFFFAOYSA-N |