4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)
Basic information
- CAS
125880-74-2- Standard SMILES
N=C(N)c1ccc(OCCCCOc2ccc(C(=N)N)cc2Cl)c(Cl)c1- InChIKey
QAPOPGUCCNIRKG-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2N4O2
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.0963313
Names & identifiers
- Preferred name
- 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)
- IUPAC
- 4-[4-(4-carbamimidoyl-2-chlorophenoxy)butoxy]-3-chlorobenzenecarboximidamide
Names & synonyms
4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)125880-74-2CHEMBL22276DTXSID001549714,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzenecarboximidamide)1,4-Di(4-amidino-2-chlorophenoxy)butane4,4'-[Butane-1,4-diylbis(oxy)]bis(3-chlorobenzene-1-carboximidamide)4-[4-(4-carbamimidoyl-2-chloro-phenoxy)butoxy]-3-chloro-benzamidine
Database identifiers
- CAS
125880-74-2- PubChem CID
- 147909
- DTXSID
DTXSID00154971- ChEMBL
CHEMBL22276- Nikkaji
- J291.993A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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