N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
Compound characteristics
Compound ID: | D524-2854 |
Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide |
Molecular Weight: | 401.89 |
Molecular Formula: | C20 H24 Cl N5 O2 |
Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(CC)=O)C([H])([H])c1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.7565 |
logD: | 4.7092 |
logSw: | -4.6872 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.545 |
InChI Key: | WDFATRLVHWGMQL-UHFFFAOYSA-N |