Basic information
- CAS
1049730-43-9- Standard SMILES
COc1ccc(Br)c(CN2CCc3ccccc32)c1OS(=O)(=O)c1ccc(C)cc1.Cl- InChIKey
VGKMNQCGQFTKAD-UHFFFAOYSA-N- Molecular formula
- C23H23BrClNO4S
- Average molar mass
- 524.9 g/mol
- Monoisotopic mass
- 523.02197
Names & identifiers
- Preferred name
- [3-Bromo-2-(2,3-dihydroindol-1-ylmethyl)-6-methoxyphenyl] 4-methylbenzenesulfonate;hydrochloride
- IUPAC
- [3-bromo-2-(2,3-dihydroindol-1-ylmethyl)-6-methoxyphenyl] 4-methylbenzenesulfonate;hydrochloride
Names & synonyms
NSC627515CHEMBL2005115NSC-627515
Database identifiers
- CAS
1049730-43-9- PubChem CID
- 362986
- ChEMBL
CHEMBL2005115
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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