Basic information
- Standard SMILES
CC(=O)Nc1cc(C(=O)NN=C(C)c2csc(-c3ccc(C(C)(C)C)cc3)c2O)ccc1C(=O)O- InChIKey
IVCLMJWXPMFCFX-UHFFFAOYSA-N- Molecular formula
- C26H27N3O5S
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.16714214
Names & identifiers
- Preferred name
- 2-Acetamino-4-[(2-{1-[5-(4-t-butylphenyl)-4-hydroxy-3-thienyl]ethylidene}hydrazino)carbonyl]benzoic acid
- IUPAC
- 2-acetamido-4-[[1-[5-(4-tert-butylphenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamoyl]benzoic acid
Names & synonyms
SCHEMBL1483889IVCLMJWXPMFCFX-UHFFFAOYSA-N2-acetamino-4-[(2-{1-[5-(4-t-butylphenyl)-4-hydroxy-3-thienyl]ethylidene}hydrazino)carbonyl]benzoic acid
Database identifiers
- PubChem CID
- 86604758
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 818
Related reactions
3 records
Compound notes
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