N-[4-[2-[Bis(1-methylethyl)amino]ethoxy]phenyl]-4-methoxy-Na(2)-phenylbenzenecarboximidamide
Basic information
- CAS
736091-71-7- Standard SMILES
COc1ccc(C(=Nc2ccc(OCCN(C(C)C)C(C)C)cc2)Nc2ccccc2)cc1- InChIKey
RZKDEOYYOPRASF-UHFFFAOYSA-N- Molecular formula
- C28H35N3O2
- Average molar mass
- 445.6 g/mol
- Monoisotopic mass
- 445.27292737
Names & identifiers
- Preferred name
- N-[4-[2-[Bis(1-methylethyl)amino]ethoxy]phenyl]-4-methoxy-Na(2)-phenylbenzenecarboximidamide
- IUPAC
- N'-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methoxy-N-phenylbenzenecarboximidamide
Names & synonyms
CHEMBL1195649DTXSID201122586736091-71-7N'-(4-{2-[Di(propan-2-yl)amino]ethoxy}phenyl)-4-methoxy-N-phenylbenzene-1-carboximidamideN-[4-[2-[Bis(1-methylethyl)amino]ethoxy]phenyl]-4-methoxy-Na(2)-phenylbenzenecarboximidamide
Database identifiers
- CAS
736091-71-7- PubChem CID
- 54663
- DTXSID
DTXSID201122586- ChEMBL
CHEMBL1195649- Nikkaji
- J383.982F
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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