Basic information
- CAS
7064-23-5- Standard SMILES
CCCCCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CCC)c2N2CCC(Cc3ccccc3)CC2)SC1=S- InChIKey
UCOSYKIWTHMHMO-UHFFFAOYSA-N- Molecular formula
- C33H42N4O2S2
- Average molar mass
- 590.8 g/mol
- Monoisotopic mass
- 590.27491894
Names & identifiers
- Preferred name
- 6-(4-Benzylpiperidin-1-yl)-5-[(3-heptyl-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-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
Names & synonyms
7064-23-5DTXSID604144276-(4-Benzylpiperidin-1-yl)-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
7064-23-5- PubChem CID
- 5265652
- DTXSID
DTXSID60414427
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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