N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide
Compound characteristics
Compound ID: | D614-0225 |
Compound Name: | N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide |
Molecular Weight: | 490 |
Molecular Formula: | C27 H28 Cl N5 O2 |
Smiles: | [H]C([H])(C1=C(C)Nc2nc(nn2C1=O)N(C(C1CCCCC1)=O)C([H])([H])c1cccc(c1)[Cl])c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 6.0574 |
logD: | 6.0418 |
logSw: | -5.9045 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.722 |
InChI Key: | ZSYADJPUXQYKED-UHFFFAOYSA-N |