Basic information
- CAS
76153-07-6- Standard SMILES
O=c1c(N=Nc2ccccc2)c(O)n(-c2ccccc2Cl)c(=S)n1-c1ccccc1- InChIKey
PWCIRIAEDWQEEG-UHFFFAOYSA-N- Molecular formula
- C22H15ClN4O2S
- Average molar mass
- 434.9 g/mol
- Monoisotopic mass
- 434.0604246
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-6-hydroxy-3-phenyl-5-phenyldiazenyl-2-sulfanylidenepyrimidin-4-one
- IUPAC
- 1-(2-chlorophenyl)-6-hydroxy-3-phenyl-5-phenyldiazenyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
76153-07-6NSC295734NSC150364DTXSID30421643NSC-150364NSC-295734(5E)-1-(2-Chlorophenyl)-3-phenyl-5-(2-phenylhydrazinylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
76153-07-6- PubChem CID
- 288982
- DTXSID
DTXSID30421643
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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