2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)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-(4-methoxyphenyl)acetamide
2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G802-1150 |
| Compound Name: | 2-{[7-(4-bromophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 486.35 |
| Molecular Formula: | C20 H16 Br N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5521 |
| logD: | 2.5521 |
| logSw: | -2.8929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.395 |
| InChI Key: | UXNQXTCXMGOJLH-UHFFFAOYSA-N |