methyl 2-{2-[(1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8009-6574 |
| Compound Name: | methyl 2-{2-[(1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 292.31 |
| Molecular Formula: | C12 H12 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nc[nH]n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9246 |
| logD: | 0.9108 |
| logSw: | -2.3789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.018 |
| InChI Key: | MRYHYHRSJQIPFM-UHFFFAOYSA-N |