ethyl 3-{5-methyl-7-[4-(2,3,5,6-tetramethylbenzene-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-(2,3,5,6-tetramethylbenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{5-methyl-7-[4-(2,3,5,6-tetramethylbenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V002-7218 |
| Compound Name: | ethyl 3-{5-methyl-7-[4-(2,3,5,6-tetramethylbenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C25 H34 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1c(C)c(C)cc(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1752 |
| logD: | 4.1458 |
| logSw: | -4.1262 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.253 |
| InChI Key: | IVNHGICKDUMGJT-UHFFFAOYSA-N |