ethyl 3-{7-[4-(4-butylbenzene-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-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V011-2585 |
| Compound Name: | ethyl 3-{7-[4-(4-butylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[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: | CCCCc1ccc(cc1)S(N1CCN(CC1)c1c(CCC(=O)OCC)c(C)nc2ncnn12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5116 |
| logD: | 4.4822 |
| logSw: | -4.1988 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.253 |
| InChI Key: | FBOMOOUUCQWVTB-UHFFFAOYSA-N |