2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)acetamide
2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G802-1154 |
| Compound Name: | 2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C21 H18 Br N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2627 |
| logD: | 3.2627 |
| logSw: | -3.3498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.852 |
| InChI Key: | ZCFMDYAEAUPAHX-UHFFFAOYSA-N |