N-(4-bromophenyl)-2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-5825 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 423.35 |
| Molecular Formula: | C16 H15 Br N4 O S2 |
| Smiles: | Cc1cc(cs1)c1nnc(n1C)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.096 |
| logD: | 4.0959 |
| logSw: | -4.184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.218 |
| InChI Key: | JTNFNMXDWMEWFH-UHFFFAOYSA-N |