Basic information
- CAS
958833-26-6- Standard SMILES
COc1cc(N(CCOCCO)CCOCCO)c(OC)cc1N=Nc1sc(C#N)c(C)c1C#N- InChIKey
XGXVIWXCZJIRGV-UHFFFAOYSA-N- Molecular formula
- C23H29N5O6S
- Average molar mass
- 503.6 g/mol
- Monoisotopic mass
- 503.18385484
Names & identifiers
- Preferred name
- 5-[[4-[Bis[2-(2-hydroxyethoxy)ethyl]amino]-2,5-dimethoxyphenyl]diazenyl]-3-methylthiophene-2,4-dicarbonitrile
- IUPAC
- 5-[[4-[bis[2-(2-hydroxyethoxy)ethyl]amino]-2,5-dimethoxyphenyl]diazenyl]-3-methylthiophene-2,4-dicarbonitrile
Names & synonyms
DTXSID601352753104867-86-95-[(1E)-2-[4-[Bis[2-(2-hydroxyethoxy)ethyl]amino]-2,5-dimethoxyphenyl]diazenyl]-3-methyl-2,4-thiophenedicarbonitrile958833-26-6
Database identifiers
- CAS
958833-26-6- PubChem CID
- 175986
- DTXSID
DTXSID101352758
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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