2-(2H-1,3-benzodioxol-5-yl)-5,6-bis(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5,6-bis(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
2-(2H-1,3-benzodioxol-5-yl)-5,6-bis(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Compound characteristics
| Compound ID: | 2360-0463 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5,6-bis(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione |
| Molecular Weight: | 661.71 |
| Molecular Formula: | C42 H31 N O7 |
| Smiles: | COc1ccc(cc1)C1=C(c2ccc(cc2)OC)C2(C3C(C(N(C3=O)c3ccc4c(c3)OCO4)=O)C1(C2=O)c1ccccc1)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8804 |
| logD: | 6.8775 |
| logSw: | -5.7769 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.988 |
| InChI Key: | ZYRBVNKMEVBWHM-UHFFFAOYSA-N |