methyl 2-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8008-1546 |
| Compound Name: | methyl 2-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C24 H20 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2855 |
| logD: | 4.2743 |
| logSw: | -4.3779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.338 |
| InChI Key: | XXHMQSHLUHRWJC-UHFFFAOYSA-N |