N-[(4-fluorophenyl)methyl]-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-[(4-fluorophenyl)methyl]-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P572-4949 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C22 H21 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(NCc3ccc(cc3)F)=O)C(N2C(Nc2ccc(C)cc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.149 |
| logD: | 3.1488 |
| logSw: | -3.3238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.117 |
| InChI Key: | CTJRFQXIHGWQNW-UHFFFAOYSA-N |