diethyl 2-[[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)amino]methylidene]propanedioate
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Basic information
- Standard SMILES
CCOC(=O)C(=CNc1cc(C)c2[nH]c3ccc(Br)cc3c2c1C)C(=O)OCC- InChIKey
ORIKCEKYSNHCJQ-UHFFFAOYSA-N- Molecular formula
- C22H23BrN2O4
- Average molar mass
- 459.3 g/mol
- Monoisotopic mass
- 458.08412
Names & identifiers
- Preferred name
- diethyl 2-[[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)amino]methylidene]propanedioate
- IUPAC
- diethyl 2-[[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)amino]methylidene]propanedioate
Names & synonyms
NSC608638NSC-608638
Database identifiers
- PubChem CID
- 355301
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 620
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Compound notes
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