2-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
2-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]benzamide
2-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | D614-0141 |
| Compound Name: | 2-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]benzamide |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C23 H22 Cl N5 O3 |
| Smiles: | [H]C([H])(c1ccc(cc1)OCC)N(C(c1ccccc1[Cl])=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.304 |
| logD: | 3.9237 |
| logSw: | -4.4874 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.925 |
| InChI Key: | YFIZHKZRXFFVJA-UHFFFAOYSA-N |