N-{6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide
Chemical Structure Depiction of
N-{6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide
N-{6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide
Compound characteristics
Compound ID: | D524-3479 |
Compound Name: | N-{6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(thiophen-2-yl)methyl]propanamide |
Molecular Weight: | 441.94 |
Molecular Formula: | C21 H20 Cl N5 O2 S |
Smiles: | [H]C([H])(C1=C(C)Nc2nc(nn2C1=O)N(C(CC)=O)C([H])([H])c1cccs1)c1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.2916 |
logD: | 4.2759 |
logSw: | -4.5288 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.292 |
InChI Key: | SKSIXDJODLBGAI-UHFFFAOYSA-N |