ethyl 3-{7-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{7-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{7-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V002-1484 |
| Compound Name: | ethyl 3-{7-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 491.38 |
| Molecular Formula: | C22 H24 Cl2 N6 O3 |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)C(c1c(cccc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1908 |
| logD: | 3.1614 |
| logSw: | -3.6721 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.19 |
| InChI Key: | ZBQWBDKKUIJCOG-UHFFFAOYSA-N |