6-[4-(4-Fluorophenyl)piperazin-1-yl]-4-methyl-5-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxo-1-propylpyridine-3-carbonitrile
Basic information
- CAS
7064-51-9- Standard SMILES
CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(C=C2SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O- InChIKey
MVIAIHGQYNHBRH-UHFFFAOYSA-N- Molecular formula
- C28H32FN5O2S2
- Average molar mass
- 553.7 g/mol
- Monoisotopic mass
- 553.19814579
Names & identifiers
- Preferred name
- 6-[4-(4-Fluorophenyl)piperazin-1-yl]-4-methyl-5-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxo-1-propylpyridine-3-carbonitrile
- IUPAC
- 6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-[[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxo-1-propylpyridine-3-carbonitrile
Names & synonyms
7064-51-9AC1NRF5EDTXSID704144586-[4-(4-Fluorophenyl)piperazin-1-yl]-4-methyl-5-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
7064-51-9- PubChem CID
- 5266089
- DTXSID
DTXSID70414458
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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