methyl 4-[2-(8-chloro-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(8-chloro-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
methyl 4-[2-(8-chloro-3-oxo[1,2,4]triazolo[4,3-c]quinazolin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F810-0578 |
| Compound Name: | methyl 4-[2-(8-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(c1ccc(cc1)NC(CN1C(N2C=Nc3cc(ccc3C2=N1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8721 |
| logD: | 2.8721 |
| logSw: | -3.6327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.011 |
| InChI Key: | FJXOFQWUKBPKEO-UHFFFAOYSA-N |