2-({[5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
2-({[5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | C202-3823 |
| Compound Name: | 2-({[5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C27 H29 N5 O3 |
| Smiles: | CC1(C)CC(C(=CNC2C(c3ccc(cc3)OC)Nc3ncnn3C2c2ccccc2)C(C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8246 |
| logD: | 3.8235 |
| logSw: | -4.2173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.247 |
| InChI Key: | YHSGKYOUZNRUQU-UHFFFAOYSA-N |