Basic information
- CAS
64820-49-1- Standard SMILES
O=c1nc(-c2ccccc2)c2cc(SC(F)F)ccc2[nH]1- InChIKey
OJZOQFOCMUIHOG-UHFFFAOYSA-N- Molecular formula
- C15H10F2N2OS
- Average molar mass
- 304.32 g/mol
- Monoisotopic mass
- 304.04819044
Names & identifiers
- Preferred name
- 2(1H)-Quinazolinone, 6-((difluoromethyl)thio)-4-phenyl-
- IUPAC
- 6-(difluoromethylsulfanyl)-4-phenyl-1H-quinazolin-2-one
Names & synonyms
64820-49-1BRN 06852572(1H)-Quinazolinone, 6-((difluoromethyl)thio)-4-phenyl-6-[(difluoromethyl)thio]-4-phenyl-2(1H)-quinazolinone6-((Difluoromethyl)thio)-4-phenyl-2(1H)-quinazolinoneDTXSID802151155-25-02-00215 (Beilstein Handbook Reference)RefChem:241358DTXCID80137606MLS0010008036-(difluoromethylsulfanyl)-4-phenyl-1H-quinazolin-2-oneCHEMBL1595648
Show more names
HMS1602M08HMS2844L07CCG-278878NCGC00245696-01SMR0004984786-difluoromethylthio-4-phenylquinazolin-2-one6-[(Difluoromethyl)sulfanyl]-4-phenylquinazolin-2(1H)-one
Database identifiers
- CAS
64820-49-1- PubChem CID
- 63152
- DTXSID
DTXSID80215115- ChEMBL
CHEMBL1595648
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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