2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide
2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | Y205-5039 |
| Compound Name: | 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide |
| Molecular Weight: | 389.88 |
| Molecular Formula: | C16 H12 Cl N5 O S2 |
| Smiles: | Cn1c(c2cccc(c2)[Cl])nnc1SCC(Nc1c(C#N)ccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1175 |
| logD: | 3.0839 |
| logSw: | -3.7137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.051 |
| InChI Key: | INJXUBFMRUEILO-UHFFFAOYSA-N |