N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | D614-0142 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H25 N5 O4 |
| Smiles: | [H]C([H])(c1ccc(cc1)OCC)N(C(c1ccccc1OC)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7729 |
| logD: | 3.3925 |
| logSw: | -3.9948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.555 |
| InChI Key: | XYHVKVQTYGSAHE-UHFFFAOYSA-N |