ethyl (5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
ethyl (5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
ethyl (5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D298-0235 |
| Compound Name: | ethyl (5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C15 H17 N5 O3 S |
| Smiles: | CCOC(CC1=C(C)Nc2nc(NCc3cccs3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7822 |
| logD: | 1.763 |
| logSw: | -2.5147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.069 |
| InChI Key: | JRDJHAQHLFGUJA-UHFFFAOYSA-N |