ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzene-1-sulfonyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzene-1-sulfonyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzene-1-sulfonyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | V004-0342 |
| Compound Name: | ethyl 3-(5-methyl-7-{4-[4-(trifluoromethoxy)benzene-1-sulfonyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 542.54 |
| Molecular Formula: | C22 H25 F3 N6 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1ccc(cc1)OC(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7336 |
| logD: | 3.7043 |
| logSw: | -4.0432 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.189 |
| InChI Key: | URXPMFWWIRXBDX-UHFFFAOYSA-N |