N-[(3,4-dimethoxyphenyl)methyl]-3,12-dihydroxycholan-24-amide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3,12-dihydroxycholan-24-amide
N-[(3,4-dimethoxyphenyl)methyl]-3,12-dihydroxycholan-24-amide
Compound characteristics
| Compound ID: | Y043-8376 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3,12-dihydroxycholan-24-amide |
| Molecular Weight: | 541.77 |
| Molecular Formula: | C33 H51 N O5 |
| Smiles: | [H][C@@]12C[C@@H]([C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(NCc3ccc(c(c3)OC)OC)=O)[C@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.459 |
| logD: | 4.459 |
| logSw: | -4.6626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.357 |
| InChI Key: | BULOAMAOUWFVCO-APMYDVHBSA-N |