Basic information
- CAS
721906-87-2- Standard SMILES
O=C(CSc1ncnc2ccccc12)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
NWQWSEZKFAWOIB-UHFFFAOYSA-N- Molecular formula
- C22H17N5OS
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.11538136
Names & identifiers
- Preferred name
- Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-(4-quinazolinylthio)-
- IUPAC
- N-(4-phenyldiazenylphenyl)-2-quinazolin-4-ylsulfanylacetamide
Names & synonyms
DTXSID701039639Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-(4-quinazolinylthio)-AKOS030733105721906-87-2Z19316353
Database identifiers
- CAS
721906-87-2- PubChem CID
- 4453442
- DTXSID
DTXSID701039639
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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