ethyl 3-{5-methyl-7-[4-(4-nitrobenzene-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-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{5-methyl-7-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
Compound ID: | V011-0994 |
Compound Name: | ethyl 3-{5-methyl-7-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
Molecular Weight: | 503.54 |
Molecular Formula: | C21 H25 N7 O6 S |
Salt: | not_available |
Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4681 |
logD: | 2.4387 |
logSw: | -2.5887 |
Hydrogen bond acceptors count: | 15 |
Polar surface area: | 119.634 |
InChI Key: | YUYWQVADIJIKHX-UHFFFAOYSA-N |