Basic information
- Standard SMILES
COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(C)c[nH]c3c2Br)cc1- InChIKey
WMQWSCDOHOJNJG-UHFFFAOYSA-N- Molecular formula
- C40H43BrN2O6
- Average molar mass
- 727.7 g/mol
Names & identifiers
- Preferred name
- benzyl 3-(7-bromo-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
- IUPAC
- benzyl 3-[(7-bromo-3-methyl-1H-indol-6-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3067311WMQWSCDOHOJNJG-UHFFFAOYSA-Nbenzyl 3-(7-bromo-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68499829
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 976
Related reactions
8 records
Linked notes
Loading…