Basic information
- Standard SMILES
CCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(Cl)cc3s1)n2CC- InChIKey
XRWVHZCDPJFKKL-UHFFFAOYSA-N- Molecular formula
- C19H18ClN5OS
- Average molar mass
- 399.9 g/mol
Names & identifiers
- Preferred name
- 2-(6-Chloro-benzothiazol-2-ylamino)-1-ethyl-1H-benzoimidazole-5-carboxylic acid ethylamide
- IUPAC
- 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N,1-diethylbenzimidazole-5-carboxamide
Names & synonyms
SCHEMBL2247093XRWVHZCDPJFKKL-UHFFFAOYSA-N2-(6-Chloro-benzothiazol-2-ylamino)-1-ethyl-1H-benzoimidazole-5-carboxylic acid ethylamide
Database identifiers
- PubChem CID
- 58397384
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
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