Basic information
- Standard SMILES
COC(=O)c1ccc(CCc2ccc(NC(=O)c3c(NC(=O)c4cccc(S(=O)(=O)NC5CC5)c4)sc4c3CCCC4)cc2)cc1- InChIKey
RVQFOSNSXAIQTO-UHFFFAOYSA-N- Molecular formula
- C35H35N3O6S2
- Average molar mass
- 657.8 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[2-(4-{[(2-{[3-(cyclopropylsulfamoyl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}phenyl)ethyl]benzoate
- IUPAC
- methyl 4-[2-[4-[[2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoate
Names & synonyms
SCHEMBL14660020RVQFOSNSXAIQTO-UHFFFAOYSA-Nmethyl 4-[2-(4-{[(2-{[3-(cyclopropylsulfamoyl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}phenyl)ethyl]benzoate
Database identifiers
- PubChem CID
- 71238739
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
6 records
Compound notes
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