2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclohexylacetamide
Chemical Structure Depiction of
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclohexylacetamide
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | D584-0272 |
| Compound Name: | 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclohexylacetamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C27 H29 N5 O2 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CC(NC2CCCCC2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8904 |
| logD: | 4.8904 |
| logSw: | -4.5216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.408 |
| InChI Key: | KJBBKDBABGXQFX-UHFFFAOYSA-N |