6-(3,4-dimethoxyphenyl)-7-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-7-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
6-(3,4-dimethoxyphenyl)-7-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V003-0611 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-7-[4-(4-ethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 522.63 |
| Molecular Formula: | C26 H30 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9037 |
| logD: | 3.8961 |
| logSw: | -3.8519 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.359 |
| InChI Key: | HMKRZVMIJPZQQC-UHFFFAOYSA-N |