3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclohexylpropanamide
Chemical Structure Depiction of
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclohexylpropanamide
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclohexylpropanamide
Compound characteristics
| Compound ID: | D527-0472 |
| Compound Name: | 3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclohexylpropanamide |
| Molecular Weight: | 469.59 |
| Molecular Formula: | C28 H31 N5 O2 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CCC(NC2CCCCC2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1187 |
| logD: | 5.1187 |
| logSw: | -4.9164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.408 |
| InChI Key: | RKLIJRRBWIBOTH-UHFFFAOYSA-N |