ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate
Basic information
- CAS
77381-16-9- Standard SMILES
CCOC(=O)c1ccc(NC(CCC(C#N)(CCC(=NC(C)(C)C)Nc2ccc(C(=O)OCC)cc2)C(=O)OCC)=NC(C)(C)C)cc1- InChIKey
BWCSBXMOVPBOPE-UHFFFAOYSA-N- Molecular formula
- C37H51N5O6
- Average molar mass
- 661.8 g/mol
- Monoisotopic mass
- 661.38393436
Names & identifiers
- Preferred name
- ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate
- IUPAC
- ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate
Names & synonyms
NSC320153NSC-320153
Database identifiers
- CAS
77381-16-9- PubChem CID
- 330772
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 21
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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