Basic information
- CAS
79885-39-5- Standard SMILES
Cn1c(=O)nc(-c2ccccc2)c2cc(SC(F)F)ccc21- InChIKey
OOXMRQMWJKCDQL-UHFFFAOYSA-N- Molecular formula
- C16H12F2N2OS
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.06384051
Names & identifiers
- Preferred name
- 2(1H)-Quinazolinone, 6-((difluoromethyl)thio)-1-methyl-4-phenyl-
- IUPAC
- 6-(difluoromethylsulfanyl)-1-methyl-4-phenylquinazolin-2-one
Names & synonyms
BRN 51081792(1H)-Quinazolinone, 6-((difluoromethyl)thio)-1-methyl-4-phenyl-6-Difluoromethylthio-4-phenyl-1-methylquinazolin-2-one6-((Difluoromethyl)thio)-1-methyl-4-phenyl-2(1H)-quinazolinoneDTXSID902299456-[(Difluoromethyl)thio]-1-methyl-4-phenyl-2(1H)-quinazolinoneRefChem:241357DTXCID4015243679885-39-56-[(Difluoromethyl)sulfanyl]-1-methyl-4-phenylquinazolin-2(1H)-one
Database identifiers
- CAS
79885-39-5- PubChem CID
- 64040
- DTXSID
DTXSID90229945
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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