5,6-bis(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Chemical Structure Depiction of
5,6-bis(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
5,6-bis(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Compound characteristics
| Compound ID: | 8007-2351 |
| Compound Name: | 5,6-bis(2H-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione |
| Molecular Weight: | 659.7 |
| Molecular Formula: | C42 H29 N O7 |
| Smiles: | Cc1cccc(c1)N1C(C2C(C1=O)C1(C(=C(c3ccc4c(c3)OCO4)C2(C1=O)c1ccccc1)c1ccc2c(c1)OCO2)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2616 |
| logD: | 7.2588 |
| logSw: | -5.7816 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.016 |
| InChI Key: | LBHMIHHQIMMEAI-UHFFFAOYSA-N |