methyl 2-(3-bromopropyl)-1-cyano-3-(2-methoxy-2-oxoethyl)-2H-benzo[g]indole-3-carboxylate
Basic information
- CAS
83927-41-7- Standard SMILES
COC(=O)CC1(C(=O)OC)c2ccc3ccccc3c2N(C#N)C1CCCBr- InChIKey
OAQPLEDGFJVHBT-UHFFFAOYSA-N- Molecular formula
- C21H21BrN2O4
- Average molar mass
- 445.3 g/mol
- Monoisotopic mass
- 444.06847
Names & identifiers
- Preferred name
- methyl 2-(3-bromopropyl)-1-cyano-3-(2-methoxy-2-oxoethyl)-2H-benzo[g]indole-3-carboxylate
- IUPAC
- methyl 2-(3-bromopropyl)-1-cyano-3-(2-methoxy-2-oxoethyl)-2H-benzo[g]indole-3-carboxylate
Names & synonyms
83927-41-7NSC348060methyl 2-(3-bromopropyl)-1-cyano-3-(2-methoxy-2-oxoethyl)-2H-benzo[g]indole-3-carboxylateDTXSID50319598NSC-348060Methyl 2-(3-bromopropyl)-1-cyano-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-benzo[g]indole-3-carboxylate
Database identifiers
- CAS
83927-41-7- PubChem CID
- 335899
- DTXSID
DTXSID50319598
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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