methyl 3,4-didehydroibogamine-18-carboxylate
Chemical Structure Depiction of
methyl 3,4-didehydroibogamine-18-carboxylate
methyl 3,4-didehydroibogamine-18-carboxylate
Compound characteristics
Compound ID: | 0080-0011 |
Compound Name: | methyl 3,4-didehydroibogamine-18-carboxylate |
Molecular Weight: | 336.43 |
Molecular Formula: | C21 H24 N2 O2 |
Smiles: | [H][C@]12C(CC)=C[C@H]3C[C@]1(C(=O)OC)c1c(CCN2C3)c2ccccc2[nH]1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.5769 |
logD: | 3.5756 |
logSw: | -3.6763 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 34.71 |
InChI Key: | CMKFQVZJOWHHDV-LPLGYCIKSA-N |