2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0527 |
| Compound Name: | 2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 364.2 |
| Molecular Formula: | C14 H14 Br N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(NCc1cc(ccc1OC)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1985 |
| logD: | 2.0119 |
| logSw: | -2.9568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.004 |
| InChI Key: | KSCGSCXHHYNUOR-UHFFFAOYSA-N |