Methyl 4-({[3-({3-[(4-{2-[4-(methoxycarbonyl)phenyl]ethyl}phenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)phenyl]sulfonyl}amino)benzoate

HCID 71238552

Basic information

Standard SMILES
COC(=O)c1ccc(CCc2ccc(NC(=O)c3c(NC(=O)c4cccc(S(=O)(=O)Nc5ccc(C(=O)OC)cc5)c4)sc4c3CCCC4)cc2)cc1
InChIKey
OVOARGIZMOFXIQ-UHFFFAOYSA-N
Molecular formula
C40H37N3O8S2
Average molar mass
751.9 g/mol

Names & identifiers

Preferred name
Methyl 4-({[3-({3-[(4-{2-[4-(methoxycarbonyl)phenyl]ethyl}phenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)phenyl]sulfonyl}amino)benzoate
IUPAC
methyl 4-[2-[4-[[2-[[3-[(4-methoxycarbonylphenyl)sulfamoyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoate

Names & synonyms

SCHEMBL14659728OVOARGIZMOFXIQ-UHFFFAOYSA-Nmethyl 4-({[3-({3-[(4-{2-[4-(methoxycarbonyl)phenyl]ethyl}phenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)phenyl]sulfonyl}amino)benzoate

Database identifiers

PubChem CID
71238552

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
194 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
14
Heavy atoms
53

Related reactions

4 records

Compound notes

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