2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(2,5-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(2,5-difluorophenyl)acetamide
2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(2,5-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | G802-1155 |
| Compound Name: | 2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(2,5-difluorophenyl)acetamide |
| Molecular Weight: | 492.3 |
| Molecular Formula: | C19 H12 Br F2 N5 O2 S |
| Smiles: | C(C(Nc1cc(ccc1F)F)=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.737 |
| logD: | 2.729 |
| logSw: | -3.1401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.154 |
| InChI Key: | PCVDORIUDHFGHX-UHFFFAOYSA-N |