ethyl 3-{5-methyl-7-[4-(2,4,6-trimethylbenzene-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-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{5-methyl-7-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V003-0683 |
| Compound Name: | ethyl 3-{5-methyl-7-[4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C24 H32 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1c(C)cc(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8162 |
| logD: | 3.7868 |
| logSw: | -3.8864 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.253 |
| InChI Key: | OQFFWWCHFISJRP-UHFFFAOYSA-N |