ethyl 3-{5-methyl-7-[4-(2,3,4,5,6-pentamethylbenzene-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-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{5-methyl-7-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V003-0612 |
| Compound Name: | ethyl 3-{5-methyl-7-[4-(2,3,4,5,6-pentamethylbenzene-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: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1c(C)c(C)c(C)c(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6156 |
| logD: | 4.5863 |
| logSw: | -4.2631 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.253 |
| InChI Key: | VUYGSLJTDNEBQH-UHFFFAOYSA-N |