2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methylphenyl)-5-thioxo-
Basic information
- CAS
107887-97-8- Standard SMILES
Cc1ccc(N2C(=O)C(=O)/C(=C(\NCCN/C(=C3\C(=O)C(=O)N(c4ccc(C)cc4)C3=S)c3ccccc3)c3ccccc3)C2=S)cc1- InChIKey
WJQUXOWOKSNLSA-JWTBXLROSA-N- Molecular formula
- C38H30N4O4S2
- Average molar mass
- 670.8 g/mol
- Monoisotopic mass
- 670.1708478
Names & identifiers
- Preferred name
- 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methylphenyl)-5-thioxo-
- IUPAC
- (4E)-1-(4-methylphenyl)-4-[[2-[[(E)-[1-(4-methylphenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione
Names & synonyms
107887-97-82,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-methylphenyl)-5-thioxo-RefChem:1059528
Database identifiers
- CAS
107887-97-8- PubChem CID
- 3065397
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,270
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Compound notes
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