Basic information
- Standard SMILES
CCOC(=O)c1sc(Nc2cc(C=O)ccc2[N+](=O)[O-])nc1-c1ccccc1- InChIKey
DHPAVWBVSACFDO-UHFFFAOYSA-N- Molecular formula
- C19H15N3O5S
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.07324176
Names & identifiers
- Preferred name
- 2-(5-Formyl-2-nitro-phenylamino)-4-phenyl-thiazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-(5-formyl-2-nitroanilino)-4-phenyl-1,3-thiazole-5-carboxylate
Names & synonyms
SCHEMBL2538217DHPAVWBVSACFDO-UHFFFAOYSA-N2-(5-formyl-2-nitro-phenylamino)-4-phenyl-thiazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 86642805
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 566
Related reactions
3 records
Compound notes
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