Basic information
- Standard SMILES
CCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1nc(-c2ccc(F)c(Cl)c2)sc1C(=O)OCC- InChIKey
CMKKQGIHCARXEQ-UHFFFAOYSA-N- Molecular formula
- C26H28ClFN2O6S
- Average molar mass
- 551 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-fluoro-phenyl)-4-{[(2,4-dimethoxy-benzyl)-ethoxycarbonylmethyl-amino]-methyl}-thiazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-(3-chloro-4-fluorophenyl)-4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-1,3-thiazole-5-carboxylate
Names & synonyms
SCHEMBL2886624CMKKQGIHCARXEQ-UHFFFAOYSA-N2-(3-Chloro-4-fluoro-phenyl)-4-{[(2,4-dimethoxy-benzyl)-ethoxycarbonylmethyl-amino]-methyl}-thiazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68428455
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 739
Related reactions
2 records
Compound notes
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