Basic information
- Standard SMILES
CCOC(=O)CC(C)(C)c1csc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)n1- InChIKey
IUOAAYAMNDKEHN-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2N2O4S2
- Average molar mass
- 451.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(2-{[(2,4-dichloro-6-methylphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)-3-methylbutanoate
- IUPAC
- ethyl 3-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-3-methylbutanoate
Names & synonyms
SCHEMBL5911588IUOAAYAMNDKEHN-UHFFFAOYSA-NEthyl 3-(2-{[(2,4-dichloro-6-methylphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)-3-methylbutanoate
Database identifiers
- PubChem CID
- 10225906
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 627
Related reactions
2 records
Compound notes
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