N-(4-chlorophenyl)-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-chlorophenyl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(4-chlorophenyl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P572-4923 |
| Compound Name: | N-(4-chlorophenyl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C21 H19 Cl N6 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(cc3)[Cl])=O)C(N2C(Nc2ccc(C)cc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1369 |
| logD: | 4.1367 |
| logSw: | -4.3946 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.795 |
| InChI Key: | IRNSWBYBXJEPNN-UHFFFAOYSA-N |