2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8012-4849 |
| Compound Name: | 2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 434.31 |
| Molecular Formula: | C17 H16 Br N5 O2 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(c2ccc(cc2)[Br])n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3707 |
| logD: | 3.3707 |
| logSw: | -3.7014 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.832 |
| InChI Key: | VZQYOUNFQWGPGM-UHFFFAOYSA-N |