methyl 3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
methyl 3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
Compound characteristics
| Compound ID: | K284-7734 |
| Compound Name: | methyl 3-[(5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C17 H12 N4 O3 S |
| Smiles: | COC(c1cccc(c1)NC1=NN2C(=Nc3ccccc3C2=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.146 |
| logD: | 3.1323 |
| logSw: | -3.6842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.041 |
| InChI Key: | LTPHVQYYWSFOJL-UHFFFAOYSA-N |