ethyl 3-(5-methyl-7-{4-[4-(2-methylbutan-2-yl)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-(2-methylbutan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(5-methyl-7-{4-[4-(2-methylbutan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | V002-0457 |
| Compound Name: | ethyl 3-(5-methyl-7-{4-[4-(2-methylbutan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 528.67 |
| Molecular Formula: | C26 H36 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)(C)c1ccc(cc1)S(N1CCN(CC1)c1c(CCC(=O)OCC)c(C)nc2ncnn12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5203 |
| logD: | 4.4909 |
| logSw: | -4.1988 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.253 |
| InChI Key: | FTRGFPAXSMXCQV-UHFFFAOYSA-N |