4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile
Basic information
- CAS
754196-68-4- Standard SMILES
COc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3ccccc3c2=O)cc1- InChIKey
LZSUDYDUCNOPHB-UHFFFAOYSA-N- Molecular formula
- C23H17N3O2S
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.10414797
Names & identifiers
- Preferred name
- 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl)thio)ME)benzonitrile
- IUPAC
- 4-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
- English name
- SALOR-INT L465070-1EA
- Molecular formula
- C23H17N3O2S
- Molecular weight
- 399.46
Names & synonyms
754196-68-44-(((3-(4-METHOXYPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL)THIO)ME)BENZONITRILERefChem:508568657-598-74-({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile4-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile4-(((3-(4-Methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)methyl)benzonitrileSTK844893AKOS0056261164-({[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]thio}methyl)benzonitrileSALOR-INT L465070-1EABenzonitrile, 4-[[[3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-
Database identifiers
- CAS
754196-68-4- PubChem CID
- 2963564
- EC Number
- 657-598-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Hazard statements
- 413 · H413
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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