methyl 2-[2-(9-chloro-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(9-chloro-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
methyl 2-[2-(9-chloro-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F810-0242 |
| Compound Name: | methyl 2-[2-(9-chloro-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 411.8 |
| Molecular Formula: | C19 H14 Cl N5 O4 |
| Smiles: | COC(c1ccccc1NC(CN1C(N2C=Nc3ccc(cc3C2=N1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4894 |
| logD: | 2.4853 |
| logSw: | -3.4831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.313 |
| InChI Key: | TWNRAGAVUQUTHP-UHFFFAOYSA-N |