N-(4-bromophenyl)-2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-8070 |
| Compound Name: | N-(4-bromophenyl)-2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 437.32 |
| Molecular Formula: | C16 H17 Br N6 O2 S |
| Smiles: | CC(C)(C)C1C(Nc2nnc(n2N=1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3318 |
| logD: | 3.3317 |
| logSw: | -3.616 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.45 |
| InChI Key: | DCBCPLICVBPEHF-UHFFFAOYSA-N |