Ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2,6-dichloroanilino)propyl]-2-cyano-5-(2,6-dichloroanilino)pentanoate
Basic information
- CAS
77381-17-0- Standard SMILES
CCOC(=O)C(C#N)(CCC(=NC(C)(C)C)Nc1c(Cl)cccc1Cl)CCC(=NC(C)(C)C)Nc1c(Cl)cccc1Cl- InChIKey
SUOPKBIFRLRVQR-UHFFFAOYSA-N- Molecular formula
- C31H39Cl4N5O2
- Average molar mass
- 655.5 g/mol
- Monoisotopic mass
- 653.185786
Names & identifiers
- Preferred name
- Ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2,6-dichloroanilino)propyl]-2-cyano-5-(2,6-dichloroanilino)pentanoate
- IUPAC
- ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2,6-dichloroanilino)propyl]-2-cyano-5-(2,6-dichloroanilino)pentanoate
Names & synonyms
77381-17-0NSC320154ethyl 5-tert-butylimino-2-[3-tert-butylimino-3-(2,6-dichloroanilino)propyl]-2-cyano-5-(2,6-dichloroanilino)pentanoateDTXSID80317749NSC-320154Ethyl (5Z)-5-(tert-butylimino)-2-[(3E)-3-(tert-butylimino)-3-(2,6-dichloroanilino)propyl]-2-cyano-5-(2,6-dichloroanilino)pentanoate
Database identifiers
- CAS
77381-17-0- PubChem CID
- 330773
- DTXSID
DTXSID80317749
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 918
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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