N-(3-chloro-4-fluorophenyl)-2-[7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P573-6326 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 426.84 |
| Molecular Formula: | C20 H16 Cl F N6 O2 |
| Smiles: | Cc1ccc(cc1)NC1C=CN2C(N=1)=NN(CC(Nc1ccc(c(c1)[Cl])F)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.9497 |
| logD: | 3.9462 |
| logSw: | -4.2456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.995 |
| InChI Key: | DVXYIDUWYMQKNA-UHFFFAOYSA-N |