N-(4-ethylphenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(4-ethylphenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-0010 |
| Compound Name: | N-(4-ethylphenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | CCc1ccc(cc1)NC(CN1C(N2C(C=C(C)N=C2c2ccccc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8808 |
| logD: | 3.8475 |
| logSw: | -3.8607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | PUHBTYDEWGAFDX-UHFFFAOYSA-N |