7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V003-0670 |
| Compound Name: | 7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C27 H32 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)S(N1CCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7171 |
| logD: | 4.7095 |
| logSw: | -4.4798 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.028 |
| InChI Key: | XDJBGUVVKDOLTB-UHFFFAOYSA-N |