N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]-4-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]-4-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]-4-methoxybenzamide
Compound characteristics
| Compound ID: | D614-0412 |
| 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]-4-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(c1ccc(cc1)OC)=O)C([H])([H])c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6964 |
| logD: | 5.5203 |
| logSw: | -5.7902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.345 |
| InChI Key: | ONWVOWSIMKBGAH-UHFFFAOYSA-N |