2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0346 |
| Compound Name: | 2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 392.25 |
| Molecular Formula: | C16 H18 Br N5 O2 |
| Smiles: | CCCC1=CC(n2c(N1)nc(NCc1cc(ccc1OC)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2971 |
| logD: | 2.8983 |
| logSw: | -3.5539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.611 |
| InChI Key: | HIWSBOQJUBIGFS-UHFFFAOYSA-N |