3-{[(4-bromophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[(4-bromophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6846 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C18 H13 Br N4 O S |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nnc2NC(C=C(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7596 |
| logD: | 3.7527 |
| logSw: | -4.0761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.835 |
| InChI Key: | ZMEYOIZAPLUFMS-UHFFFAOYSA-N |