Basic information
- CAS
449764-56-1- Standard SMILES
CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O- InChIKey
PWHNIOPRBVVLGO-XYGWBWBKSA-N- Molecular formula
- C29H30N2O3S
- Average molar mass
- 486.6 g/mol
- Monoisotopic mass
- 486.197714
Names & identifiers
- Preferred name
- CID 6367660
- IUPAC
- ethyl (5Z)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(4-methylanilino)-4-oxothiophene-3-carboxylate
- English name
- ethyl 5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-4-oxo-2-(4-toluidino)-4,5-dihydro-3-thiophenecarboxylate
- Molecular formula
- C29H30N2O3S
- Molecular weight
- 486.6251
Names & synonyms
ethyl 5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-4-oxo-2-(4-toluidino)-4,5-dihydro-3-thiophenecarboxylate
Database identifiers
- CAS
449764-56-1- PubChem CID
- 6367660
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 850
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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