2-((R)-9-((S)-1-(4-chlorophenyl)ethyl)-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetic acid

HCID 11259797

Basic information

Standard SMILES
C[C@@H](c1ccc(Cl)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O
InChIKey
SSLHBZFYMFYOLS-DZGCQCFKSA-N
Molecular formula
C23H23ClFNO4S
Average molar mass
463.9 g/mol

Names & identifiers

Preferred name
2-((R)-9-((S)-1-(4-chlorophenyl)ethyl)-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetic acid
IUPAC
2-[(1R)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

Names & synonyms

CHEMBL1290079SCHEMBL1255151SSLHBZFYMFYOLS-DZGCQCFKSA-NBDBM50331731[(1R)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methyl-sulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid[(1R)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid2-((R)-9-((S)-1-(4-chlorophenyl)ethyl)-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetic acid

Database identifiers

PubChem CID
11259797
ChEMBL
CHEMBL1290079

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
84.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
31

Related reactions

3 records

Compound notes

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