2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y501-5687 |
| Compound Name: | 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 495.4 |
| Molecular Formula: | C23 H19 Br N4 O2 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(c2cccc(c2)[Br])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4955 |
| logD: | 5.4955 |
| logSw: | -5.4587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.406 |
| InChI Key: | NICQUXMGYLJHGP-UHFFFAOYSA-N |