3-cyclohexyl-2-furan-3-yl-1-methyl-1H-indole-6-carboxylic acid

HCID 514263

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Basic information

CAS: 494799-77-8
Standard SMILES: Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIKey: SOOVFVIRAAYMHK-UHFFFAOYSA-N
Molecular formula: C20H21NO3
Average molar mass: 323.4 g/mol
Monoisotopic mass: 323.15214353

Names & identifiers

Preferred name: 3-cyclohexyl-2-furan-3-yl-1-methyl-1H-indole-6-carboxylic acid
IUPAC: 3-cyclohexyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid

Names & synonyms

CHEMBL386508494799-77-83-cyclohexyl-2-(furan-3-yl)-1-methyl-1H-indole-6-carboxylic acid3-cyclohexyl-2-furan-3-yl-1-methyl-1H-indole-6-carboxylic acidSCHEMBL6388916SOOVFVIRAAYMHK-UHFFFAOYSA-NDTXSID601173979BDBM50193054DA-236983-cyclohexyl-2-(3-furyl)-1-methyl-indole-6-carboxylic acid1H-Indole-6-carboxylic acid, 3-cyclohexyl-2-(3-furanyl)-1-methyl-3-Cyclohexyl-2-(3-furanyl)-1-methyl-1H-indole-6-carboxylic acid

Database identifiers

CAS: 494799-77-8
PubChem CID: 514263
DTXSID: DTXSID601173979
ChEMBL: CHEMBL386508

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 462

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