Basic information
- CAS
7064-25-7- Standard SMILES
CCCCC(CC)CN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(Cc3ccccc3)CC2)SC1=S- InChIKey
CJCKKRHIWAXYCW-UHFFFAOYSA-N- Molecular formula
- C33H43N5O2S2
- Average molar mass
- 605.9 g/mol
- Monoisotopic mass
- 605.28581798
Names & identifiers
- Preferred name
- 6-(4-Benzylpiperazin-1-yl)-5-[[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
- IUPAC
- 6-(4-benzylpiperazin-1-yl)-5-[[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
Names & synonyms
7064-25-7AC1NRE8RDTXSID504144316-(4-Benzylpiperazin-1-yl)-5-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
7064-25-7- PubChem CID
- 5265697
- DTXSID
DTXSID50414431
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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