2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | 8010-1130 |
| Compound Name: | 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 404.29 |
| Molecular Formula: | C16 H14 Br N5 O S |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)Sc1nnc(c2ccccc2)n1N |
| Stereo: | ACHIRAL |
| logP: | 3.2832 |
| logD: | 3.2831 |
| logSw: | -3.4843 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.289 |
| InChI Key: | WKNPIKZRFRYHJF-UHFFFAOYSA-N |