N-benzyl-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-benzyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
N-benzyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D524-2401 |
| Compound Name: | N-benzyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | [H]C([H])(c1ccccc1)N(C(C1CCCCC1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9397 |
| logD: | 3.8185 |
| logSw: | -3.9313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.993 |
| InChI Key: | SSEBKKBLONSQDJ-UHFFFAOYSA-N |