N-(4-bromophenyl)-2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8012-7460 |
| Compound Name: | N-(4-bromophenyl)-2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide |
| Molecular Weight: | 454.37 |
| Molecular Formula: | C16 H16 Br N5 O2 S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7528 |
| logD: | 4.7521 |
| logSw: | -4.4709 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.665 |
| InChI Key: | ZRSCXSXWBGAQHA-UHFFFAOYSA-N |