N-(4-bromophenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0043 |
| Compound Name: | N-(4-bromophenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C19 H13 Br F N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)Sc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6604 |
| logD: | 2.6603 |
| logSw: | -3.0754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.852 |
| InChI Key: | PUPCDGXMVSEQAF-UHFFFAOYSA-N |