SN-5754 Tosylate
Basic information
- CAS
16758-33-1- Standard SMILES
CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4)cc3)cc2)c1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
YAOFFENGCOYJMV-UHFFFAOYSA-P- Molecular formula
- C43H42N6O7S+2
- Average molar mass
- 786.9 g/mol
- Monoisotopic mass
- 786.28356887
Names & identifiers
- Preferred name
- SN-5754 Tosylate
- IUPAC
- 1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;4-methylbenzenesulfonic acid
Names & synonyms
SN-5754 Tosylate8362HN1M7HPYRIDINIUM, 3,3'-(1,4-PHENYLENEBIS(CARBONYLIMINO-4,1-PHENYLENECARBONYLIMINO))BIS(1-ETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:2)16758-33-1Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonateRefChem:203011NSC-101327
Database identifiers
- CAS
16758-33-1- PubChem CID
- 418478
- UNII
- 8362HN1M7H
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 57
- Formal charge
- 2
- Complexity
- 1,140
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