2-({5-[(3-chloro-4-fluorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[(3-chloro-4-fluorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[(3-chloro-4-fluorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y205-9393 |
| Compound Name: | 2-({5-[(3-chloro-4-fluorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 330.77 |
| Molecular Formula: | C12 H12 Cl F N4 O2 S |
| Smiles: | Cn1c(COc2ccc(c(c2)[Cl])F)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0619 |
| logD: | 1.0619 |
| logSw: | -2.7661 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.186 |
| InChI Key: | DCCHMRGFZAMNBP-UHFFFAOYSA-N |