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
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
4 records
Compound notes
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