methyl 4-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D084-0770 |
| Compound Name: | methyl 4-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C13 H12 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1cnnc(n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.909 |
| logD: | 0.89 |
| logSw: | -2.0314 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.18 |
| InChI Key: | VKLMFTOAJMDOKL-UHFFFAOYSA-N |