ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3,3-dicyano-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate
Basic information
- CAS
77381-13-6- Standard SMILES
CCOC(=O)c1ccc(NC(CCC(C#N)(C#N)CCC(=NC(C)(C)C)Nc2ccc(C(=O)OCC)cc2)=NC(C)(C)C)cc1- InChIKey
BXEPBUPUNUBFBK-UHFFFAOYSA-N- Molecular formula
- C35H46N6O4
- Average molar mass
- 614.8 g/mol
- Monoisotopic mass
- 614.35805397
Names & identifiers
- Preferred name
- ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3,3-dicyano-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate
- IUPAC
- ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3,3-dicyano-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate
Names & synonyms
NSC320149NSC-320149
Database identifiers
- CAS
77381-13-6- PubChem CID
- 330768
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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