(4R,12Bs)-7,9-Dimethoxy-3-Methyl-2,4,7A,13-Tetrahydro-1H-4,12-Methanobenzofuro[3,2-E]Isoquinoline
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1318110 | |
| PubChem: | 5321926 | |
| IUPAC: | (4R,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline | |
| Standard InChI: | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18?,19+/m1/s1 | |
| Standard InChI Key: | FQXXSQDCDRQNQE-WRGHYRGKSA-N | |
| SMILES: | COC1=CC=C2[C@@]34C1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC | |
Molecular propeties
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| AlogP: | 2.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 311.15 | |
| Topological polar surface area: | 30.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.474 | |
| Number of carbons: | 19 | |