4-(3-Chloro-phenyl)-2-[5(2,2-dimethoxy-ethyl)-2-nitro-phenylamino]-thiazole-5-carboxylic acid amide
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Basic information
- Standard SMILES
COC(Cc1ccc([N+](=O)[O-])c(Nc2nc(-c3cccc(Cl)c3)c(C(N)=O)s2)c1)OC- InChIKey
BVZIAUWBXOHPQF-UHFFFAOYSA-N- Molecular formula
- C20H19ClN4O5S
- Average molar mass
- 462.9 g/mol
- Monoisotopic mass
- 462.0764686
Names & identifiers
- Preferred name
- 4-(3-Chloro-phenyl)-2-[5(2,2-dimethoxy-ethyl)-2-nitro-phenylamino]-thiazole-5-carboxylic acid amide
- IUPAC
- 4-(3-chlorophenyl)-2-[5-(2,2-dimethoxyethyl)-2-nitroanilino]-1,3-thiazole-5-carboxamide
Names & synonyms
SCHEMBL2490461BVZIAUWBXOHPQF-UHFFFAOYSA-N4-(3-chloro-phenyl)-2-[5(2,2-dimethoxy-ethyl)-2-nitro-phenylamino]-thiazole-5-carboxylic acid amide
Database identifiers
- PubChem CID
- 86642811
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 623
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Related reactions
4 records
Compound notes
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