2-{[(5,7-diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)amino]methylidene}cyclohexane-1,3-dione
Chemical Structure Depiction of
2-{[(5,7-diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)amino]methylidene}cyclohexane-1,3-dione
2-{[(5,7-diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)amino]methylidene}cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | C202-3829 |
| Compound Name: | 2-{[(5,7-diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)amino]methylidene}cyclohexane-1,3-dione |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C24 H23 N5 O2 |
| Smiles: | C1CC(C(=CNC2C(c3ccccc3)Nc3ncnn3C2c2ccccc2)C(C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2131 |
| logD: | 3.2119 |
| logSw: | -3.4918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.703 |
| InChI Key: | GXQJTGRLYZUDMC-UHFFFAOYSA-N |