2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | 3613-0034 |
| Compound Name: | 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C17 H16 Br N5 O S |
| Smiles: | Cn1c(c2ccc(cc2)N)nnc1SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9558 |
| logD: | 2.9556 |
| logSw: | -3.5473 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.006 |
| InChI Key: | BPFWNQLUCVRGIT-UHFFFAOYSA-N |