ethyl 3-{7-[4-(2,4-dichloro-5-methylbenzene-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-(2,4-dichloro-5-methylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{7-[4-(2,4-dichloro-5-methylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V015-5420 |
| Compound Name: | ethyl 3-{7-[4-(2,4-dichloro-5-methylbenzene-1-sulfonyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 541.46 |
| Molecular Formula: | C22 H26 Cl2 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1cc(C)c(cc1[Cl])[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2611 |
| logD: | 4.2317 |
| logSw: | -4.5312 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.253 |
| InChI Key: | PGFPNTDPOQJASN-UHFFFAOYSA-N |