2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide
Chemical Structure Depiction of
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide
Compound characteristics
| Compound ID: | 8016-7817 |
| Compound Name: | 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide |
| Molecular Weight: | 404.29 |
| Molecular Formula: | C16 H14 Br N5 O S |
| Smiles: | C(C(Nc1cccc(c1)[Br])=O)Sc1nnc(c2ccccc2)n1N |
| Stereo: | ACHIRAL |
| logP: | 3.2574 |
| logD: | 3.2573 |
| logSw: | -3.4643 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.289 |
| InChI Key: | WVORRODYAFVZSI-UHFFFAOYSA-N |