methyl N-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Chemical Structure Depiction of
methyl N-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
methyl N-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Compound characteristics
| Compound ID: | D419-0256 |
| Compound Name: | methyl N-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C19 H17 Cl N4 O3 S |
| Smiles: | COC(CNC(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2394 |
| logD: | 3.2394 |
| logSw: | -3.8061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.034 |
| InChI Key: | ZQKJMBWQAFPKDK-UHFFFAOYSA-N |