1-(4-{4-[3-(4-chlorobenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[3-(4-chlorobenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[3-(4-chlorobenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | C200-4684 |
| Compound Name: | 1-(4-{4-[3-(4-chlorobenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 553.06 |
| Molecular Formula: | C25 H21 Cl N6 O3 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)c1c2c(ccs2)n2c(c(nn2)S(c2ccc(cc2)[Cl])(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0098 |
| logD: | 5.0098 |
| logSw: | -5.1738 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.233 |
| InChI Key: | LFZNJAZLCZETAR-UHFFFAOYSA-N |