6-(4-Benzylpiperidin-1-yl)-5-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
Basic information
- CAS
7064-24-6- Standard SMILES
CCCn1c(N2CCC(Cc3ccccc3)CC2)c(C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O- InChIKey
RRUVQDYOZRQBCR-UHFFFAOYSA-N- Molecular formula
- C33H33FN4O2S2
- Average molar mass
- 600.8 g/mol
- Monoisotopic mass
- 600.20289682
Names & identifiers
- Preferred name
- 6-(4-Benzylpiperidin-1-yl)-5-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 6-(4-benzylpiperidin-1-yl)-5-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
Names & synonyms
7064-24-6DTXSID904144306-(4-Benzylpiperidin-1-yl)-5-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
7064-24-6- PubChem CID
- 5265686
- DTXSID
DTXSID90414430
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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