ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate
Basic information
- CAS
73750-34-2- Standard SMILES
CCOC(=O)c1ccc(NC(CCSc2ccccc2)=NC(C)(C)C)cc1- InChIKey
PSQADHADUSKUIY-UHFFFAOYSA-N- Molecular formula
- C22H28N2O2S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.18714931
Names & identifiers
- Preferred name
- ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate
- IUPAC
- ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate
Names & synonyms
73750-34-2NSC319938ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoateDTXSID20317723NSC-319938Ethyl 4-[(1E)-N-tert-butyl-3-(phenylsulfanyl)propanimidamido]benzoate
Database identifiers
- CAS
73750-34-2- PubChem CID
- 330706
- DTXSID
DTXSID20317723
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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