methyl 4-[2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
methyl 4-[2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | P032-0052 |
| Compound Name: | methyl 4-[2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(cc3)C(=O)OC)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0408 |
| logD: | 3.0075 |
| logSw: | -3.2939 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.047 |
| InChI Key: | ZTDFAYASQITBCM-UHFFFAOYSA-N |