2-(3-carboxyphenyl)-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-(3-carboxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
2-(3-carboxyphenyl)-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: | 2995-2035 |
Compound Name: | 2-(3-carboxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid |
Molecular Weight: | 519.64 |
Molecular Formula: | C31 H37 N O6 |
Smiles: | CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C3CC1C1C2C(N(C1=O)c1cccc(c1)C(O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.2053 |
logD: | 1.5157 |
logSw: | -4.5948 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.65 |
InChI Key: | HBJMDWSNDUDODD-UHFFFAOYSA-N |