N-[(2-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
N-[(2-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D524-2451 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide |
| Molecular Weight: | 413.91 |
| Molecular Formula: | C21 H24 Cl N5 O2 |
| Smiles: | [H]C([H])(c1ccccc1[Cl])N(C(C1CCCCC1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4236 |
| logD: | 4.3024 |
| logSw: | -4.3626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.993 |
| InChI Key: | BRGWPSYRPZPHPY-UHFFFAOYSA-N |