4-[1-(5-chloro-thiophen-2-ylmethyl)-5-methoxy-1H-indol-3-yl]-piperidine-1-carboxylic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)N1CCC(c2cn(Cc3ccc(Cl)s3)c3ccc(OC)cc23)CC1- InChIKey
KWJLGPQSAFSGLJ-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O3S
- Average molar mass
- 433 g/mol
- Monoisotopic mass
- 432.1274415
Names & identifiers
- Preferred name
- 4-[1-(5-chloro-thiophen-2-ylmethyl)-5-methoxy-1H-indol-3-yl]-piperidine-1-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[1-[(5-chlorothiophen-2-yl)methyl]-5-methoxyindol-3-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5342917KWJLGPQSAFSGLJ-UHFFFAOYSA-N4-[1-(5-chloro-thiophen-2-ylmethyl)-5-methoxy-1H-indol-3-yl]-piperidine-1-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69411985
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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