(2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide
Basic information
- CAS
172486-24-7- Standard SMILES
COc1ccc(C/C(=N\O)C(=O)NCCc2cc(Br)c(OCCCN(C)C)c(Br)c2)cc1Br- InChIKey
RCOAHKXJTMBQLI-VFCFBJKWSA-N- Molecular formula
- C23H28Br3N3O4
- Average molar mass
- 650.2 g/mol
- Monoisotopic mass
- 646.96299
Names & identifiers
- Preferred name
- (2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide
- IUPAC
- (2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide
Names & synonyms
CHEMBL2062972DTXSID401317884BDBM50599319(2E)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-hydroxyiminopropanamide(2E)-3-(3-Bromo-4-methoxyphenyl)-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-2-(hydroxyimino)propanamide
Database identifiers
- CAS
172486-24-7- PubChem CID
- 6399301
- DTXSID
DTXSID401317884- ChEMBL
CHEMBL2062972- Nikkaji
- J1.852.072I
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 614
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Compound notes
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