methyl (2-{[(4-ethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
methyl (2-{[(4-ethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
methyl (2-{[(4-ethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D043-0291 |
| Compound Name: | methyl (2-{[(4-ethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C18 H21 N5 O4 |
| Smiles: | CCOc1ccc(CNc2nc3NC(C)=C(CC(=O)OC)C(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7235 |
| logD: | 1.7044 |
| logSw: | -2.234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.594 |
| InChI Key: | VXKJLEQETCVSDA-UHFFFAOYSA-N |