6-[(4-bromophenyl)methyl]-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(4-bromophenyl)methyl]-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(4-bromophenyl)methyl]-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 8563-0657 |
| Compound Name: | 6-[(4-bromophenyl)methyl]-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 365.25 |
| Molecular Formula: | C14 H13 Br N4 O S |
| Smiles: | CC1=C(Cc2ccc(cc2)[Br])C(n2c(N1)nc(n2)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6149 |
| logD: | 3.5082 |
| logSw: | -3.7641 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.974 |
| InChI Key: | YJSXCIJMCKREHG-UHFFFAOYSA-N |