Basic information
- Standard SMILES
CC(=O)Nc1c(Cl)cc(CNC(N)=NC(=O)Cc2c[nH]c3ccc(C#N)cc23)cc1Cl- InChIKey
SJSJWDVMVIIMLL-UHFFFAOYSA-N- Molecular formula
- C21H18Cl2N6O2
- Average molar mass
- 457.3 g/mol
- Monoisotopic mass
- 456.0868292
Names & identifiers
- Preferred name
- n-(4-{n'-[2-(5-Cyano-1h-indol-3-yl)-acetyl]-guanidinomethyl}-2,6-dichloro-phenyl)-acetamide
- IUPAC
- N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-2-(5-cyano-1H-indol-3-yl)acetamide
Names & synonyms
SCHEMBL4482270SCHEMBL4482272SJSJWDVMVIIMLL-UHFFFAOYSA-Nn-(4-{n'-[2-(5-cyano-1h-indol-3-yl)-acetyl]-guanidinomethyl}-2,6-dichloro-phenyl)-acetamide
Database identifiers
- PubChem CID
- 57887236
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 741
Related reactions
1 records
Compound notes
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