N-[(4-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
N-[(4-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
Compound characteristics
Compound ID: | D524-2402 |
Compound Name: | N-[(4-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide |
Molecular Weight: | 373.84 |
Molecular Formula: | C18 H20 Cl N5 O2 |
Smiles: | [H]C([H])(c1ccc(cc1)[Cl])N(C(C(C)C)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
Stereo: | ACHIRAL |
logP: | 3.5612 |
logD: | 3.44 |
logSw: | -3.9141 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.073 |
InChI Key: | RYAPJHYPGRGKGF-UHFFFAOYSA-N |