Basic information
- CAS
63175-24-6- Standard SMILES
COC(=O)C(C#N)=C(C#N)c1ccc(N(CCOC(=O)c2ccccc2)CCOC(=O)c2ccccc2)cc1- InChIKey
TWFWFZZEVCUZSW-UHFFFAOYSA-N- Molecular formula
- C30H25N3O6
- Average molar mass
- 523.5 g/mol
- Monoisotopic mass
- 523.17433553
Names & identifiers
- Preferred name
- Methyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate
- IUPAC
- 2-[N-(2-benzoyloxyethyl)-4-(1,2-dicyano-3-methoxy-3-oxoprop-1-enyl)anilino]ethyl benzoate
Names & synonyms
SCHEMBL11580897DB-319927Methyl 3-[4-[bis[2-(benzoyloxy)ethyl ]amino]phenyl ]-2,3-dicyanoacrylate
Database identifiers
- CAS
63175-24-6- PubChem CID
- 113111
- DTXSID
DTXSID5069758
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 933
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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