2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-chlorophenyl)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-(3-chlorophenyl)acetamide
2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | G802-1152 |
| Compound Name: | 2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 490.76 |
| Molecular Formula: | C19 H13 Br Cl N5 O2 S |
| Smiles: | C(C(Nc1cccc(c1)[Cl])=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3233 |
| logD: | 3.3232 |
| logSw: | -3.6153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.852 |
| InChI Key: | ODMWUYMUTOVDOI-UHFFFAOYSA-N |