Basic information
- Standard SMILES
COc1ccc(Br)c(-c2cc(=O)c3c(OC)cc(OC)c([C@@H]4CCN(C)[C@H]4CO)c3o2)c1- InChIKey
KGZRQWIOZZIRNQ-PBHICJAKSA-N- Molecular formula
- C24H26BrNO6
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 503.09435
Names & identifiers
- Preferred name
- (+/-)-trans-2-(2-Bromo-5-methoxy-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one
- IUPAC
- 2-(2-bromo-5-methoxyphenyl)-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5,7-dimethoxychromen-4-one
Names & synonyms
SCHEMBL1179880KGZRQWIOZZIRNQ-PBHICJAKSA-N(+/-)-trans-2-(2-bromo-5-methoxy-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one
Database identifiers
- PubChem CID
- 66933669
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 704
Related reactions
1 records
Compound notes
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