methyl 4-{2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8014-0392 |
| Compound Name: | methyl 4-{2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C26 H24 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)SCc1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2592 |
| logD: | 5.2592 |
| logSw: | -5.1475 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.012 |
| InChI Key: | UTIMLUJWUUQHHL-UHFFFAOYSA-N |