2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0536 |
| Compound Name: | 2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 392.25 |
| Molecular Formula: | C16 H18 Br N5 O2 |
| Smiles: | CCC1=C(C)Nc2nc(NCc3cc(ccc3OC)[Br])nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1496 |
| logD: | 3.1144 |
| logSw: | -3.2578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.522 |
| InChI Key: | VPBZDTXFESMKIZ-UHFFFAOYSA-N |