Basic information
- Standard SMILES
CCOC(=O)c1sc(Nc2cc(C(OC)OC)ccc2[N+](=O)[O-])nc1-c1ccccc1- InChIKey
UJUUFPNKDZGFOA-UHFFFAOYSA-N- Molecular formula
- C21H21N3O6S
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- 2-(5-Dimethoxymethyl-2-nitro-phenylamino)-4-phenyl-thiazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-[5-(dimethoxymethyl)-2-nitroanilino]-4-phenyl-1,3-thiazole-5-carboxylate
Names & synonyms
SCHEMBL2541142UJUUFPNKDZGFOA-UHFFFAOYSA-N2-(5-dimethoxymethyl-2-nitro-phenylamino)-4-phenyl-thiazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 86642804
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 596
Related reactions
4 records
Compound notes
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