N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
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]-2-methoxybenzamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | D614-0417 |
| 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]-2-methoxybenzamide |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C25 H26 Cl N5 O3 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccccc1OC)=O)C([H])([H])c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6429 |
| logD: | 5.4668 |
| logSw: | -5.6405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.432 |
| InChI Key: | JBHWHKYNODSVDS-UHFFFAOYSA-N |