6-(4-Benzylpiperidin-1-yl)-4-methyl-2-oxo-5-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-propyl-1,2-dihydropyridine-3-carbonitrile
Basic information
- CAS
7064-22-4- Standard SMILES
CCCn1c(N2CCC(Cc3ccccc3)CC2)c(C=C2SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O- InChIKey
MQHDDOCNEPHRDQ-UHFFFAOYSA-N- Molecular formula
- C34H36N4O2S2
- Average molar mass
- 596.8 g/mol
- Monoisotopic mass
- 596.22796875
Names & identifiers
- Preferred name
- 6-(4-Benzylpiperidin-1-yl)-4-methyl-2-oxo-5-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-propyl-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 6-(4-benzylpiperidin-1-yl)-4-methyl-2-oxo-5-[[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-propylpyridine-3-carbonitrile
Names & synonyms
7064-22-4DTXSID004144266-(4-Benzylpiperidin-1-yl)-4-methyl-2-oxo-5-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-propyl-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
7064-22-4- PubChem CID
- 5265641
- DTXSID
DTXSID00414426
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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