ethyl 5-bromo-8-carbamoyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
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Basic information
- Standard SMILES
CCOC(=O)C1Cc2c([nH]c3c(C(N)=O)ccc(Br)c23)CN1- InChIKey
PTTWEXQSMDKARB-UHFFFAOYSA-N- Molecular formula
- C15H16BrN3O3
- Average molar mass
- 366.21 g/mol
Names & identifiers
- Preferred name
- ethyl 5-bromo-8-carbamoyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
- IUPAC
- ethyl 5-bromo-8-carbamoyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
SCHEMBL9984005PTTWEXQSMDKARB-UHFFFAOYSA-Nethyl 5-bromo-8-carbamoyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Database identifiers
- PubChem CID
- 67995035
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
1 records
Compound notes
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