methyl 2-[2-(4-oxo-6-phenylthieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-oxo-6-phenylthieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
methyl 2-[2-(4-oxo-6-phenylthieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
Compound characteristics
Compound ID: | D243-0061 |
Compound Name: | methyl 2-[2-(4-oxo-6-phenylthieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate |
Molecular Weight: | 420.45 |
Molecular Formula: | C21 H16 N4 O4 S |
Smiles: | COC(c1ccccc1NC(CN1C(c2cc(c3ccccc3)sc2N=N1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.757 |
logD: | 3.7506 |
logSw: | -4.0311 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.189 |
InChI Key: | POTUPQYQVGKVNM-UHFFFAOYSA-N |