ethyl 3-(7-{4-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(7-{4-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(7-{4-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | V011-2304 |
| Compound Name: | ethyl 3-(7-{4-[2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 560.98 |
| Molecular Formula: | C22 H24 Cl F3 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1ccc(cc1[Cl])C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6958 |
| logD: | 3.6664 |
| logSw: | -4.1805 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.253 |
| InChI Key: | QYNAGSAHRDINGX-UHFFFAOYSA-N |