methyl N-({[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Chemical Structure Depiction of
methyl N-({[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
methyl N-({[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Compound characteristics
| Compound ID: | D419-0322 |
| Compound Name: | methyl N-({[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | Cc1ccccc1c1nnc(n1c1ccccc1)SCC(NCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7281 |
| logD: | 2.7281 |
| logSw: | -3.3519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.034 |
| InChI Key: | JBMDGGXDGYWZAJ-UHFFFAOYSA-N |