ethyl (2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
ethyl (2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0344 |
| Compound Name: | ethyl (2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 436.26 |
| Molecular Formula: | C17 H18 Br N5 O4 |
| Smiles: | CCOC(CC1=CC(n2c(N1)nc(NCc1cc(ccc1OC)[Br])n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3033 |
| logD: | 1.9251 |
| logSw: | -3.0445 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.77 |
| InChI Key: | WNANZZSWIMMBDH-UHFFFAOYSA-N |