Basic information
- Standard SMILES
CCOC(=O)CC(NS(=O)(=O)c1cccc(-c2cccc(NC(=S)Nc3ccccc3N)c2)c1)c1ccccc1- InChIKey
REFZAYQVKJAPAI-UHFFFAOYSA-N- Molecular formula
- C30H30N4O4S2
- Average molar mass
- 574.7 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-{[(3'-{[(2-aminoanilino)carbothioyl]amino}[1,1'-biphenyl]-3-yl)sulfonyl]amino}-3-phenyl-propanoate
- IUPAC
- ethyl 3-[[3-[3-[(2-aminophenyl)carbamothioylamino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoate
Names & synonyms
SCHEMBL5878761REFZAYQVKJAPAI-UHFFFAOYSA-NEthyl 3-{[(3'-{[(2-aminoanilino)carbothioyl]amino}[1,1'-biphenyl]-3-yl)sulfonyl]amino}-3-phenyl-propanoate
Database identifiers
- PubChem CID
- 21982385
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 921
Related reactions
4 records
Compound notes
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