7-(4-bromophenyl)-3-{[(4-ethenylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-3-{[(4-ethenylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-{[(4-ethenylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-1006 |
| Compound Name: | 7-(4-bromophenyl)-3-{[(4-ethenylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 439.33 |
| Molecular Formula: | C20 H15 Br N4 O S |
| Smiles: | C=Cc1ccc(CSc2nnc3C(N(C=Cn23)c2ccc(cc2)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4886 |
| logD: | 3.4886 |
| logSw: | -3.6122 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.702 |
| InChI Key: | XPKUYPXKMASDJD-UHFFFAOYSA-N |