methyl 4-[2-(9-methyl-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(9-methyl-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
methyl 4-[2-(9-methyl-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F810-0124 |
| Compound Name: | methyl 4-[2-(9-methyl-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C20 H17 N5 O4 |
| Smiles: | Cc1ccc2c(c1)C1=NN(CC(Nc3ccc(cc3)C(=O)OC)=O)C(N1C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5812 |
| logD: | 2.5809 |
| logSw: | -3.187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.011 |
| InChI Key: | XMLHCHGGTVREGS-UHFFFAOYSA-N |