ethyl 3-(2-{[(4-ethylphenyl)methyl]amino}-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-{[(4-ethylphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(2-{[(4-ethylphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | D298-0116 |
| Compound Name: | ethyl 3-(2-{[(4-ethylphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | CCc1ccc(CNc2nc3NC(C)=C(CCC(=O)OCC)C(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1735 |
| logD: | 3.1303 |
| logSw: | -3.1404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | MBOBLIKQSKMEHM-UHFFFAOYSA-N |