Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2c3c(c4ccc(Br)cc42)CCN(C(=O)OC(C)(C)C)C3)cc1- InChIKey
QCTMYBBGXIVOJP-UHFFFAOYSA-N- Molecular formula
- C23H25BrN2O4S
- Average molar mass
- 505.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 7-bromo-9-tosyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
- IUPAC
- tert-butyl 7-bromo-9-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
Names & synonyms
SCHEMBL3477214QCTMYBBGXIVOJP-UHFFFAOYSA-Ntert-butyl 7-bromo-9-tosyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
Database identifiers
- PubChem CID
- 57950467
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 769
Related reactions
6 records
Compound notes
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