methyl 2-(2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8012-4172 |
| Compound Name: | methyl 2-(2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3729 |
| logD: | 4.3617 |
| logSw: | -4.3254 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.882 |
| InChI Key: | TZERCIWPTIHQEX-UHFFFAOYSA-N |