Basic information
- Standard SMILES
CN(C)CCN(C)c1nc2ccc(NC(=O)c3ccc(-c4ccccc4Cl)cc3)cc2s1- InChIKey
KLFMHWMYKHXPPX-UHFFFAOYSA-N- Molecular formula
- C25H25ClN4OS
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 464.1437603
Names & identifiers
- Preferred name
- 2'-Chloro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}-amide
- IUPAC
- 4-(2-chlorophenyl)-N-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-benzothiazol-6-yl]benzamide
Names & synonyms
SCHEMBL5245596KLFMHWMYKHXPPX-UHFFFAOYSA-N2'-Chloro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}-amide
Database identifiers
- PubChem CID
- 11568907
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 615
Related reactions
2 records
Compound notes
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