2-(2-chloro-5-nitrophenyl)-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-(2-chloro-5-nitrophenyl)-5,6-bis(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
2-(2-chloro-5-nitrophenyl)-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: | 2360-0449 |
| Compound Name: | 2-(2-chloro-5-nitrophenyl)-5,6-bis(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione |
| Molecular Weight: | 697.15 |
| Molecular Formula: | C41 H29 Cl N2 O7 |
| Smiles: | COc1ccc(cc1)C1=C(c2ccc(cc2)OC)C2(C3C(C(N(C3=O)c3cc(ccc3[Cl])[N+]([O-])=O)=O)C1(C2=O)c1ccccc1)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4612 |
| logD: | 7.4563 |
| logSw: | -6.5157 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.953 |
| InChI Key: | YDBRFTUWPFMXJZ-UHFFFAOYSA-N |