ethyl 3-{7-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{7-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{7-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V017-2352 |
| Compound Name: | ethyl 3-{7-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C23 H30 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3025 |
| logD: | 3.2731 |
| logSw: | -3.514 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.253 |
| InChI Key: | KANXRCCBHQONJX-UHFFFAOYSA-N |