1-{1-(4-chlorophenyl)-5-[4-(methylsulfanyl)anilino]-1H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{1-(4-chlorophenyl)-5-[4-(methylsulfanyl)anilino]-1H-1,2,3-triazol-4-yl}ethan-1-one
1-{1-(4-chlorophenyl)-5-[4-(methylsulfanyl)anilino]-1H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D112-0028 |
| Compound Name: | 1-{1-(4-chlorophenyl)-5-[4-(methylsulfanyl)anilino]-1H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 358.85 |
| Molecular Formula: | C17 H15 Cl N4 O S |
| Smiles: | CC(c1c(Nc2ccc(cc2)SC)n(c2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3274 |
| logD: | 4.3274 |
| logSw: | -4.5521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.493 |
| InChI Key: | CMTUMYRNTXVEAU-UHFFFAOYSA-N |