Basic information
- CAS
583-25-5- Standard SMILES
N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2I)cc1- InChIKey
DXAJHYNCKDFWAU-UHFFFAOYSA-N- Molecular formula
- C20H25IN4O2
- Average molar mass
- 480.3 g/mol
- Monoisotopic mass
- 480.10222
Names & identifiers
- Preferred name
- 4-[6-(4-Carbamimidoylphenoxy)hexoxy]-3-iodobenzenecarboximidamide
- IUPAC
- 4-[6-(4-carbamimidoylphenoxy)hexoxy]-3-iodobenzenecarboximidamide
Names & synonyms
CHEMBL26370583-25-54-[6-(4-carbamimidoylphenoxy)hexoxy]-3-iodobenzenecarboximidamideSCHEMBL15624708DTXSID903285284-[6-(4-Carbamimidoyl-phenoxy)-hexyloxy]-3-iodo-benzamidineBDBM500985554-{[6-(4-carbamimidoylphenoxy)hexyl]oxy}-3-iodobenzene-1-carboximidamideBenzenecarboximidamide,4-[[6-[4-(aminoiminomethyl)phenoxy]hexyl]oxy]-3-iodo-, hydrochloride (1:2)PD119274DS-006862
Database identifiers
- CAS
583-25-5- PubChem CID
- 411406
- DTXSID
DTXSID90328528- ChEMBL
CHEMBL26370- Nikkaji
- J1.539.635K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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