5-(4-Aminobenzamido)-2-(2-{4-[4-(4-aminobenzamido)benzamido]-2-sulfophenyl}ethenyl)benzenesulfonic acid
Basic information
- CAS
241483-37-4- Standard SMILES
Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C=Cc4ccc(NC(=O)c5ccc(N)cc5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2)cc1- InChIKey
MBAYXHSGMOCFTK-UHFFFAOYSA-N- Molecular formula
- C35H29N5O9S2
- Average molar mass
- 727.8 g/mol
- Monoisotopic mass
- 727.14066987
Names & identifiers
- Preferred name
- 5-(4-Aminobenzamido)-2-(2-{4-[4-(4-aminobenzamido)benzamido]-2-sulfophenyl}ethenyl)benzenesulfonic acid
- IUPAC
- 5-[(4-aminobenzoyl)amino]-2-[2-[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Names & synonyms
SCHEMBL29402666DTXSID401104774241483-37-45-(4-Aminobenzamido)-2-(2-{4-[4-(4-aminobenzamido)benzamido]-2-sulfophenyl}ethenyl)benzenesulfonic acid
Database identifiers
- CAS
241483-37-4- PubChem CID
- 433257
- DTXSID
DTXSID401104774
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 265 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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