Basic information
- Standard SMILES
COc1cc(OC)c(/C=C/C(=O)c2ccc(S(=O)(=O)NCCCn3ccnc3)cc2)cc1C#Cc1ccccc1N- InChIKey
XTCXKQASJRNSIX-NTCAYCPXSA-N- Molecular formula
- C31H30N4O5S
- Average molar mass
- 570.7 g/mol
- Monoisotopic mass
- 570.19369124
Names & identifiers
- Preferred name
- 4-{3E-[5-(2-amino-phenylethynyl)-2,4-dimethoxy-phenyl]acryloyl}-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
- IUPAC
- 4-[(E)-3-[5-[2-(2-aminophenyl)ethynyl]-2,4-dimethoxyphenyl]prop-2-enoyl]-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
Names & synonyms
SCHEMBL5559876XTCXKQASJRNSIX-NTCAYCPXSA-N4-{3E-[5-(2-amino-phenylethynyl)-2,4-dimethoxy-phenyl]acryloyl}-N-(3-imidazol-1-ylpropyl)benzenesulfonamide4-{3E-[5-(2-amino-phenylethynyl)-2,4-dimethoxyphenyl]acryloyl}-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
Database identifiers
- PubChem CID
- 69487932
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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