N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-methylpropanamide
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-[(4-ethoxyphenyl)methyl]-2-methylpropanamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D614-0526 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-methylpropanamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(C(C)C)=O)C([H])([H])c1ccc(cc1)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.919 |
| logD: | 4.8718 |
| logSw: | -4.3756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.196 |
| InChI Key: | ZUPURACNBZXHME-UHFFFAOYSA-N |