7-(4-bromophenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0997 |
| Compound Name: | 7-(4-bromophenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C18 H12 Br F N4 O S |
| Smiles: | C(c1ccccc1F)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4584 |
| logD: | 3.4584 |
| logSw: | -3.567 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.702 |
| InChI Key: | XWDCSOARPMOUMF-UHFFFAOYSA-N |