ethyl 3-{7-[4-(5-chloro-2-methoxybenzene-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-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{7-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V011-2328 |
| Compound Name: | ethyl 3-{7-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 523.01 |
| Molecular Formula: | C22 H27 Cl N6 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1cc(ccc1OC)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.822 |
| logD: | 2.7926 |
| logSw: | -3.4248 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.883 |
| InChI Key: | YEDMAPAOLZUPMJ-UHFFFAOYSA-N |