N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]benzamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]benzamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | D614-0408 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]benzamide |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccccc1)=O)C([H])([H])c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.609 |
| logD: | 5.4328 |
| logSw: | -5.6726 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | NIEMREJZFQYKAT-UHFFFAOYSA-N |