methyl (2-{[(5-bromo-2-methoxyphenyl)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-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
methyl (2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D298-0531 |
| Compound Name: | methyl (2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 436.26 |
| Molecular Formula: | C17 H18 Br N5 O4 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(NCc1cc(ccc1OC)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2478 |
| logD: | 2.2287 |
| logSw: | -3.0067 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.101 |
| InChI Key: | JKSRFRQDFXEOQJ-UHFFFAOYSA-N |