methyl (2-{[(4-bromophenyl)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-bromophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
methyl (2-{[(4-bromophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D043-0302 |
| Compound Name: | methyl (2-{[(4-bromophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 406.24 |
| Molecular Formula: | C16 H16 Br N5 O3 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(NCc1ccc(cc1)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1884 |
| logD: | 2.1693 |
| logSw: | -2.779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.471 |
| InChI Key: | KOIGSIAKWUARCL-UHFFFAOYSA-N |