N-(2-bromophenyl)-2-{[5-(2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-bromophenyl)-2-{[5-(2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-bromophenyl)-2-{[5-(2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y501-5696 |
| Compound Name: | N-(2-bromophenyl)-2-{[5-(2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 481.37 |
| Molecular Formula: | C22 H17 Br N4 O2 S |
| Smiles: | C(C(Nc1ccccc1[Br])=O)Sc1nnc(c2ccccc2O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9457 |
| logD: | 4.6839 |
| logSw: | -4.1111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.712 |
| InChI Key: | QOBSZOMCRPXVMX-UHFFFAOYSA-N |