2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | Y205-6476 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 445.38 |
| Molecular Formula: | C20 H21 Br N4 O S |
| Smiles: | CCn1c(c2ccc(cc2)[Br])nnc1SCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1194 |
| logD: | 4.1193 |
| logSw: | -4.1577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.278 |
| InChI Key: | UAAKXVHNYFGSBQ-UHFFFAOYSA-N |