2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0345 |
| Compound Name: | 2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 392.25 |
| Molecular Formula: | C16 H18 Br N5 O2 |
| Smiles: | CC(C)C1=CC(n2c(N1)nc(NCc1cc(ccc1OC)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2024 |
| logD: | 2.7688 |
| logSw: | -3.4478 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.505 |
| InChI Key: | KYPGREQOCUPVLQ-UHFFFAOYSA-N |