6-(Azepan-1-yl)-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Basic information
- CAS
7063-49-2- Standard SMILES
CCCCCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCCCCC2)SC1=S- InChIKey
SPNIHFSXEJTRRO-UHFFFAOYSA-N- Molecular formula
- C25H34N4O2S2
- Average molar mass
- 486.7 g/mol
- Monoisotopic mass
- 486.21231869
Names & identifiers
- Preferred name
- 6-(Azepan-1-yl)-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 6-(azepan-1-yl)-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
Names & synonyms
7063-49-2DTXSID204143426-(Azepan-1-yl)-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
7063-49-2- PubChem CID
- 5264604
- DTXSID
DTXSID20414342
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 949
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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