Basic information
- Standard SMILES
CCOC(=O)C1CCc2c([nH]c3c(C(N)=O)ccc(Br)c23)C1- InChIKey
ISQIUQOEWIXYEG-UHFFFAOYSA-N- Molecular formula
- C16H17BrN2O3
- Average molar mass
- 365.22 g/mol
Names & identifiers
- Preferred name
- ethyl 5-bromo-8-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
- IUPAC
- ethyl 5-bromo-8-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
Names & synonyms
ethyl 5-bromo-8-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate1231892-22-0SCHEMBL149111ISQIUQOEWIXYEG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59375013
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
Related reactions
9 records
Compound notes
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