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]cyclohexanecarboxamide
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]cyclohexanecarboxamide
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]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D524-3501 |
| 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]cyclohexanecarboxamide |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C25 H26 Cl N5 O2 S |
| Smiles: | [H]C([H])(C1=C(C)Nc2nc(nn2C1=O)N(C(C1CCCCC1)=O)C([H])([H])c1cccs1)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6531 |
| logD: | 5.6374 |
| logSw: | -5.8151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.74 |
| InChI Key: | BMLYDYZPQONLTJ-UHFFFAOYSA-N |