N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxyphenyl)methyl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxyphenyl)methyl]cyclohexanecarboxamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxyphenyl)methyl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D524-2576 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxyphenyl)methyl]cyclohexanecarboxamide |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | [H]C([H])(c1ccccc1OC)N(C(C1CCCCC1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8917 |
| logD: | 3.7705 |
| logSw: | -4.0249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.624 |
| InChI Key: | CCMMRRAAVYKMAA-UHFFFAOYSA-N |