N'-(4-{2-[Di(propan-2-yl)amino]ethoxy}phenyl)-4-methoxy-N-phenylbenzene-1-carboximidamide--hydrogen chloride (1/2)
Basic information
- CAS
80785-20-2- Standard SMILES
COc1ccc(C(=Nc2ccc(OCCN(C(C)C)C(C)C)cc2)Nc2ccccc2)cc1.Cl.Cl- InChIKey
OVURSQSWFHYTIE-UHFFFAOYSA-N- Molecular formula
- C28H37Cl2N3O2
- Average molar mass
- 518.5 g/mol
- Monoisotopic mass
- 517.2262828
Overview
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Names & identifiers
- Preferred name
- N'-(4-{2-[Di(propan-2-yl)amino]ethoxy}phenyl)-4-methoxy-N-phenylbenzene-1-carboximidamide--hydrogen chloride (1/2)
- IUPAC
- N'-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methoxy-N-phenylbenzenecarboximidamide;dihydrochloride
Names & synonyms
DTXSID201001518N'-(4-{2-[Di(propan-2-yl)amino]ethoxy}phenyl)-4-methoxy-N-phenylbenzene-1-carboximidamide--hydrogen chloride (1/2)
Database identifiers
- CAS
80785-20-2- PubChem CID
- 12935397
- DTXSID
DTXSID201001518
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 549
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