5-Methylthio-6-trifluoromethyl-1-(4-ethoxycarbonyl phenyl carbamoyl)indoline

HCID 18005113
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Basic information

Standard SMILES
CCOC(=O)c1ccc(NC(=O)N2CCc3cc(SC)c(C(F)(F)F)cc32)cc1
InChIKey
HMLKMUJGRHODCK-UHFFFAOYSA-N
Molecular formula
C20H19F3N2O3S
Average molar mass
424.4 g/mol
Monoisotopic mass
424.10684813

Names & identifiers

Preferred name
5-Methylthio-6-trifluoromethyl-1-(4-ethoxycarbonyl phenyl carbamoyl)indoline
IUPAC
ethyl 4-[[5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carbonyl]amino]benzoate

Names & synonyms

5-methylthio-6-trifluoromethyl-1-(4-ethoxycarbonyl phenyl carbamoyl)indolineSCHEMBL7083569L015319

Database identifiers

PubChem CID
18005113

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
83.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
29

Related reactions

1 records
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Compound notes

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