Basic information
- Standard SMILES
COc1ccc2sc(C(=N)C(C#N)N3CCN(C(=O)c4ccccc4)C[C@H]3C)nc2c1- InChIKey
GUAYFRSNWIXPJR-NYRJJRHWSA-N- Molecular formula
- C23H23N5O2S
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- (R)-N-(benzoyl)-3-methyl-N'-[2-(5-methoxy-benzothiazol-2-yl)-2-imino-1-cyano-ethyl]-piperazine
- IUPAC
- 2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-3-imino-3-(5-methoxy-1,3-benzothiazol-2-yl)propanenitrile
Names & synonyms
SCHEMBL5856091GUAYFRSNWIXPJR-NYRJJRHWSA-N(R)-N-(benzoyl)-3-methyl-N'-[2-(5-methoxy-benzothiazol-2-yl)-2-imino-1-cyano-ethyl]-piperazine
Database identifiers
- PubChem CID
- 86601949
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 718
Related reactions
1 records
Compound notes
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