methyl 4-[2-(3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
methyl 4-[2-(3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F810-0014 |
| Compound Name: | methyl 4-[2-(3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 377.36 |
| Molecular Formula: | C19 H15 N5 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C=Nc3ccccc3C2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1053 |
| logD: | 2.1052 |
| logSw: | -3.0108 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.011 |
| InChI Key: | UNPLPGOHSKQPSM-UHFFFAOYSA-N |