ethyl 3-(7-{4-[4-(3-chloro-2-cyanophenoxy)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-[4-(3-chloro-2-cyanophenoxy)benzene-1-sulfonyl]piperazin-1-yl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(7-{4-[4-(3-chloro-2-cyanophenoxy)benzene-1-sulfonyl]piperazin-1-yl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | V011-2155 |
| Compound Name: | ethyl 3-(7-{4-[4-(3-chloro-2-cyanophenoxy)benzene-1-sulfonyl]piperazin-1-yl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 610.09 |
| Molecular Formula: | C28 H28 Cl N7 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1ccc(cc1)Oc1cccc(c1C#N)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0388 |
| logD: | 4.0094 |
| logSw: | -4.5269 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.143 |
| InChI Key: | ONRJDXWDBUEDLH-UHFFFAOYSA-N |