AC1Nrasf
Basic information
- CAS
7063-22-1- Standard SMILES
CCN1CCN(c2c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(C)c(C#N)c(=O)n2C)CC1- InChIKey
XOASCCXSMFHKGN-UHFFFAOYSA-N- Molecular formula
- C26H27N5O4S2
- Average molar mass
- 537.7 g/mol
- Monoisotopic mass
- 537.15044671
Names & identifiers
- Preferred name
- AC1Nrasf
- IUPAC
- 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
Names & synonyms
AC1NRASFDTXSID40414304RefChem:314098DTXCID903651557063-22-15-({3-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
7063-22-1- PubChem CID
- 5264203
- DTXSID
DTXSID40414304
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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