1-(p-Chlorobenzyl)-alpha,alpha-dimethyl-5-isopropyl-3-cyclopropylmethylthioindole-2-propanoic acid

HCID 10434849
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Basic information

Standard SMILES
CC(C)c1ccc2c(c1)c(SCC1CC1)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
InChIKey
RNEGGAYADBWUPV-UHFFFAOYSA-N
Molecular formula
C27H32ClNO2S
Average molar mass
470.1 g/mol

Names & identifiers

Preferred name
1-(p-Chlorobenzyl)-alpha,alpha-dimethyl-5-isopropyl-3-cyclopropylmethylthioindole-2-propanoic acid
IUPAC
3-[1-[(4-chlorophenyl)methyl]-3-(cyclopropylmethylsulfanyl)-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid

Names & synonyms

SCHEMBL6835957RNEGGAYADBWUPV-UHFFFAOYSA-N1-(p-chlorobenzyl)-alpha,alpha-dimethyl-5-isopropyl-3-cyclopropylmethylthioindole-2-propanoic acid

Database identifiers

PubChem CID
10434849
Nikkaji
J483.634K

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
67.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
32

Related reactions

1 records
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Compound notes

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