2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 6103-0056 |
| Compound Name: | 2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 471.95 |
| Molecular Formula: | C26 H22 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1)C1C=C(c2ccc(cc2)[Cl])Nc2nc(nn12)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3619 |
| logD: | 5.3596 |
| logSw: | -6.1443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.42 |
| InChI Key: | QUUZXBPGUMCVEI-UHFFFAOYSA-N |