Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(OCCOC)ncc2n1Cc1cc2ccc(Cl)cc2s1- InChIKey
USHVSMUQLCPTSC-UHFFFAOYSA-N- Molecular formula
- C22H21ClN2O4S
- Average molar mass
- 444.9 g/mol
- Monoisotopic mass
- 444.091056
Names & identifiers
- Preferred name
- 1-(6-Chloro-benzo[b]thiophen-2-ylmethyl)-5-(2-methoxy-ethoxy)-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[(6-chloro-1-benzothiophen-2-yl)methyl]-5-(2-methoxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxylate
Names & synonyms
SCHEMBL4879177USHVSMUQLCPTSC-UHFFFAOYSA-N1-(6-Chloro-benzo[b]thiophen-2-ylmethyl)-5-(2-methoxy-ethoxy)-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69226701
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Related reactions
4 records
Compound notes
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