2-[5,7-bis(4-chlorophenyl)-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-[5,7-bis(4-chlorophenyl)-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-[5,7-bis(4-chlorophenyl)-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: | D413-0141 |
| Compound Name: | 2-[5,7-bis(4-chlorophenyl)-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: | 492.36 |
| Molecular Formula: | C25 H19 Cl2 N5 O2 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1nc2NC(=CC(c3ccc(cc3)[Cl])n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5332 |
| logD: | 5.5309 |
| logSw: | -6.2384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.42 |
| InChI Key: | TYWZRLHHHOWDNX-UHFFFAOYSA-N |