ethyl 3-{2-[(2-ethoxyanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{2-[(2-ethoxyanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{2-[(2-ethoxyanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | D433-1689 |
| Compound Name: | ethyl 3-{2-[(2-ethoxyanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C20 H25 N5 O4 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(CNc3ccccc3OCC)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5703 |
| logD: | 0.8858 |
| logSw: | -2.8973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.419 |
| InChI Key: | AYEDCZRIZNGVIH-UHFFFAOYSA-N |