methyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
methyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
Compound ID: | D487-0366 |
Compound Name: | methyl 3-{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(c1cccc(c1)NC(CSc1cnnc(n1)O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.0896 |
logD: | 1.0706 |
logSw: | -2.1091 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 93.18 |
InChI Key: | BPCPHHPAPAWUJM-UHFFFAOYSA-N |