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

HCID 66967751

Basic information

Standard SMILES
CCOC(=O)C[C@H]1CCCc2c1n([C@@H](C)c1ccc(Cl)cc1)c1c(S(C)(=O)=O)cc(F)cc21
InChIKey
CLYCVPYZVCXPOO-DOTOQJQBSA-N
Molecular formula
C25H27ClFNO4S
Average molar mass
492 g/mol
Monoisotopic mass
491.1333354

Names & identifiers

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

Names & synonyms

SCHEMBL1255158CLYCVPYZVCXPOO-DOTOQJQBSA-Nethyl [(1R)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetateethyl[(1R)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methyl-sulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetateethyl[(1R)-9-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-8-(methylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetate

Database identifiers

PubChem CID
66967751

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
73.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
33

Related reactions

4 records

Compound notes

Loading…