Basic information
- CAS
76153-11-2- Standard SMILES
COc1ccccc1-n1c(=O)c(N=Nc2ccccc2)c(O)n(-c2ccccc2Cl)c1=S- InChIKey
QZNPIBOTGUTOKA-UHFFFAOYSA-N- Molecular formula
- C23H17ClN4O3S
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 464.0709893
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-6-hydroxy-3-(2-methoxyphenyl)-5-phenyldiazenyl-2-sulfanylidenepyrimidin-4-one
- IUPAC
- 1-(2-chlorophenyl)-6-hydroxy-3-(2-methoxyphenyl)-5-phenyldiazenyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
NSC29573576153-11-2NSC150367NSC-150367NSC-295735
Database identifiers
- CAS
76153-11-2- PubChem CID
- 288985
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 770
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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