2-(6-Chloro-benzothiazol-2-ylamino)-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carboxylic acid dimethylcarbamoylmethyl-amide
Basic information
- Standard SMILES
COCCn1c(Nc2nc3ccc(Cl)cc3s2)nc2cc(C(=O)NCC(=O)N(C)C)ccc21- InChIKey
HLAPCHUEIHHPMW-UHFFFAOYSA-N- Molecular formula
- C22H23ClN6O3S
- Average molar mass
- 487 g/mol
Names & identifiers
- Preferred name
- 2-(6-Chloro-benzothiazol-2-ylamino)-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carboxylic acid dimethylcarbamoylmethyl-amide
- IUPAC
- 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-(2-methoxyethyl)benzimidazole-5-carboxamide
Names & synonyms
SCHEMBL2247733HLAPCHUEIHHPMW-UHFFFAOYSA-N2-(6-Chloro-benzothiazol-2-ylamino)-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carboxylic acid dimethylcarbamoylmethyl-amide
Database identifiers
- PubChem CID
- 86656972
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 703
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Related reactions
1 records
Compound notes
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