6-chloro-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-4-phenylquinolin-2(1H)-one
Basic information
- CAS
696646-62-5- Standard SMILES
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1- InChIKey
GPENBZNEPAUQSI-UHFFFAOYSA-N- Molecular formula
- C30H19ClN4OS
- Average molar mass
- 519 g/mol
- Monoisotopic mass
- 518.0968101
Names & identifiers
- Preferred name
- 6-chloro-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-4-phenylquinolin-2(1H)-one
- IUPAC
- 6-chloro-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
Names & synonyms
696646-62-56-chloro-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-4-phenylquinolin-2(1H)-one6-Chloro-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-4-phenyl-2(1H)-quinolinoneDTXSID801139400STK775727AKOS0056180386-chloro-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one6-chloro-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-4-phenylquinolin-2(1H)-one
Database identifiers
- CAS
696646-62-5- PubChem CID
- 6417092
- DTXSID
DTXSID801139400
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 820
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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