2-[5-(4-chlorophenyl)-7-phenyl-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-phenyl-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-phenyl-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: | D413-0283 |
| Compound Name: | 2-[5-(4-chlorophenyl)-7-phenyl-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: | 457.92 |
| Molecular Formula: | C25 H20 Cl N5 O2 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1nc2NC(=CC(c3ccccc3)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9428 |
| logD: | 4.9405 |
| logSw: | -5.3493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.42 |
| InChI Key: | PCOJKVRIJLMSTL-UHFFFAOYSA-N |