ethyl 3-[7-(4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}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-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}piperazin-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
ethyl 3-[7-(4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}piperazin-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
Compound characteristics
| Compound ID: | V002-8581 |
| Compound Name: | ethyl 3-[7-(4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]carbamoyl}piperazin-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C25 H31 N7 O5 |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)C(NCCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4906 |
| logD: | 2.4612 |
| logSw: | -2.9413 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.29 |
| InChI Key: | DYRMIKRTESOKDR-UHFFFAOYSA-N |