N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | IB02-0623 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 555.45 |
| Molecular Formula: | C25 H23 Br N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.98 |
| logD: | 4.98 |
| logSw: | -5.95 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 132.87 |
| InChI Key: | ASRHCCWLLIQQRX-UHFFFAOYSA-N |