6-(Azepan-1-yl)-1-ethyl-5-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Basic information
- CAS
7063-96-9- Standard SMILES
CCn1c(N2CCCCCC2)c(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O- InChIKey
IBBLHVKGPGIPIW-UHFFFAOYSA-N- Molecular formula
- C27H30N4O3S2
- Average molar mass
- 522.7 g/mol
- Monoisotopic mass
- 522.17593318
Names & identifiers
- Preferred name
- 6-(Azepan-1-yl)-1-ethyl-5-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 6-(azepan-1-yl)-1-ethyl-5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
Names & synonyms
7063-96-9DTXSID304143986-(Azepan-1-yl)-1-ethyl-5-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
7063-96-9- PubChem CID
- 5265293
- DTXSID
DTXSID30414398
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,050
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Compound notes
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