Acetic acid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
Basic information
- CAS
1012020-57-3- Standard SMILES
Cc1cc(C)nc(SCC(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1- InChIKey
HIMWFHCCSLPMSL-UHFFFAOYSA-N- Molecular formula
- C22H21N5O3S
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.13651072
Names & identifiers
- Preferred name
- Acetic acid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
- IUPAC
- [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
Names & synonyms
DTXSID001038604AKOS0008156381012020-57-3Acetic acid, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
Database identifiers
- CAS
1012020-57-3- PubChem CID
- 24325865
- DTXSID
DTXSID001038604
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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