Basic information
- Standard SMILES
C[C@@H](NC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(Cl)cc3s1)n2C)C(=O)N1CCN(C)CC1- InChIKey
BWEOPTJATILVRU-CQSZACIVSA-N- Molecular formula
- C24H26ClN7O2S
- Average molar mass
- 512 g/mol
Names & identifiers
- Preferred name
- 2-(6-Chloro-benzothiazol-2-ylamino)-1-methyl-1H-benzoimidazole-5-carboxylic acid [(R)-1-methyl-2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]amide
- IUPAC
- 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methyl-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzimidazole-5-carboxamide
Names & synonyms
SCHEMBL2245754SCHEMBL29602863BWEOPTJATILVRU-CQSZACIVSA-N2-(6-Chloro-benzothiazol-2-ylamino)-1-methyl-1H-benzoimidazole-5-carboxylic acid [(R)-1-methyl-2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]amide
Database identifiers
- PubChem CID
- 53356121
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 785
Related reactions
1 records
Compound notes
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