4-amino-N-[4-[[4-[2-[4-[(4-aminobenzoyl)amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]carbamoyl]phenyl]benzenecarboximidic acid
Basic information
- CAS
241483-37-4- Standard SMILES
Nc1ccc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4ccc(N=C(O)c5ccc(N)cc5)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1- InChIKey
MBAYXHSGMOCFTK-UHFFFAOYSA-N- Molecular formula
- C35H29N5O9S2
- Average molar mass
- 727.8 g/mol
- Monoisotopic mass
- 727.14066987
Names & identifiers
- Preferred name
- 4-amino-N-[4-[[4-[2-[4-[(4-aminobenzoyl)amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]carbamoyl]phenyl]benzenecarboximidic acid
- IUPAC
- 4-amino-N-[4-[[4-[2-[4-[(4-aminobenzoyl)amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]carbamoyl]phenyl]benzenecarboximidic acid
Database identifiers
- CAS
241483-37-4- PubChem CID
- 178255754
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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