ethyl 3-(5-methyl-7-{4-[(4-methylphenyl)carbamoyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(5-methyl-7-{4-[(4-methylphenyl)carbamoyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(5-methyl-7-{4-[(4-methylphenyl)carbamoyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | V013-0952 |
| Compound Name: | ethyl 3-(5-methyl-7-{4-[(4-methylphenyl)carbamoyl]piperazin-1-yl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C23 H29 N7 O3 |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)C(Nc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0547 |
| logD: | 3.0253 |
| logSw: | -3.3419 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.011 |
| InChI Key: | KGBFOHVHJYTDOV-UHFFFAOYSA-N |