methyl N-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Chemical Structure Depiction of
methyl N-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
methyl N-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Compound characteristics
| Compound ID: | D419-0124 |
| Compound Name: | methyl N-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | COC(CNC(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6271 |
| logD: | 2.6271 |
| logSw: | -2.9349 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.578 |
| InChI Key: | ASEJFMFILQUPPL-UHFFFAOYSA-N |