Basic information
- CAS
488809-45-6- Standard SMILES
Oc1ccc2c3ccc(O)cc3n(CCCNCc3ccc(Br)cc3)c2c1- InChIKey
JBSPUYKTUOATPP-UHFFFAOYSA-N- Molecular formula
- C22H21BrN2O2
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 424.07864
Names & identifiers
- Preferred name
- 9-(3-{[(4-Bromophenyl)methyl]amino}propyl)-9H-carbazole-2,7-diol
- IUPAC
- 9-[3-[(4-bromophenyl)methylamino]propyl]carbazole-2,7-diol
Names & synonyms
488809-45-6DTXSID107863439-(3-{[(4-BROMOPHENYL)METHYL]AMINO}PROPYL)-9H-CARBAZOLE-2,7-DIOL
Database identifiers
- CAS
488809-45-6- PubChem CID
- 71362736
- DTXSID
DTXSID10786343
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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