4-[1-amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-[3-(morpholine-4-sulfonyl)-phenoxy]-benzonitrile
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Basic information
- Standard SMILES
Cn1cncc1C(C)(N)c1ccc(C#N)c(Oc2cccc(S(=O)(=O)N3CCOCC3)c2)c1- InChIKey
GYUOGYWUKJJPGK-UHFFFAOYSA-N- Molecular formula
- C23H25N5O4S
- Average molar mass
- 467.5 g/mol
Names & identifiers
- Preferred name
- 4-[1-amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-[3-(morpholine-4-sulfonyl)-phenoxy]-benzonitrile
- IUPAC
- 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-(3-morpholin-4-ylsulfonylphenoxy)benzonitrile
Names & synonyms
SCHEMBL7676934GYUOGYWUKJJPGK-UHFFFAOYSA-N4-[1-amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-[3-(morpholine-4-sulfonyl)-phenoxy]-benzonitrile
Database identifiers
- PubChem CID
- 21706293
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 820
Related reactions
1 records
Compound notes
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