4-[rel-(5aR,10bR)-2,9-dimethyl-2,3,4,5,5a,10b-hexahydroazepino[4,3-b]indol-6(1H)-yl]butanoic acid
Chemical Structure Depiction of
4-[rel-(5aR,10bR)-2,9-dimethyl-2,3,4,5,5a,10b-hexahydroazepino[4,3-b]indol-6(1H)-yl]butanoic acid
4-[rel-(5aR,10bR)-2,9-dimethyl-2,3,4,5,5a,10b-hexahydroazepino[4,3-b]indol-6(1H)-yl]butanoic acid
Compound characteristics
| Compound ID: | H025-0061 |
| Compound Name: | 4-[rel-(5aR,10bR)-2,9-dimethyl-2,3,4,5,5a,10b-hexahydroazepino[4,3-b]indol-6(1H)-yl]butanoic acid |
| Molecular Weight: | 302.42 |
| Molecular Formula: | C18 H26 N2 O2 |
| Smiles: | [H][C@@]12CN(C)CCC[C@]2([H])N(CCCC(O)=O)c2ccc(C)cc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2863 |
| logD: | 1.2863 |
| logSw: | -2.2113 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.572 |
| InChI Key: | VVGPJXCYAOTIGS-HOTGVXAUSA-N |