N-(2,6-dimethylphenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2,6-dimethylphenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-1919 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | Cc1cccc(C)c1NC(CN1C(N2C(C=C(COC)N=C2c2ccccc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8328 |
| logD: | 2.8119 |
| logSw: | -2.9237 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.508 |
| InChI Key: | PUHQVPQXRKBKCA-UHFFFAOYSA-N |