2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-chloro-4-fluorophenyl)acetamide
2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | P572-4608 |
| Compound Name: | 2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 426.84 |
| Molecular Formula: | C20 H16 Cl F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(c(c3)[Cl])F)=O)C(N2C(Nc2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6572 |
| logD: | 3.6548 |
| logSw: | -3.9829 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.795 |
| InChI Key: | INRAUKKOUNSEPV-UHFFFAOYSA-N |