Basic information
- Standard SMILES
CCCS(=O)(=O)NCC(Nc1ccc(C(=N)N)cc1)c1ccc(OC(CCl)c2ccccc2)c(OC)c1- InChIKey
POVVHOWHQNFRJC-UHFFFAOYSA-N- Molecular formula
- C27H33ClN4O4S
- Average molar mass
- 545.1 g/mol
- Monoisotopic mass
- 544.1911044
Names & identifiers
- Preferred name
- 4-{2-Propanesulfonylamino-1-[4-(2-chloro-1-phenyl-ethoxy)-3-methoxy-phenyl]-ethylamino}-benzamidine
- IUPAC
- 4-[[1-[4-(2-chloro-1-phenylethoxy)-3-methoxyphenyl]-2-(propylsulfonylamino)ethyl]amino]benzenecarboximidamide
Names & synonyms
SCHEMBL5516647POVVHOWHQNFRJC-UHFFFAOYSA-N4-{2-propanesulfonylamino-1-[4-(2-chloro-1-phenyl-ethoxy)-3-methoxy-phenyl]-ethylamino}-benzamidine
Database identifiers
- PubChem CID
- 54200434
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 782
Related reactions
1 records
Compound notes
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