2-benzyl-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Chemical Structure Depiction of
2-benzyl-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
2-benzyl-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Compound characteristics
| Compound ID: | 5325-0031 |
| Compound Name: | 2-benzyl-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C31 H39 N O4 |
| Smiles: | CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C3CC1C1C2C(N(Cc2ccccc2)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.82 |
| logD: | 2.5271 |
| logSw: | -4.5935 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.853 |
| InChI Key: | MMNBJMAYQDWSIC-UHFFFAOYSA-N |