N-(4-ethoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Basic information
- CAS
613227-96-6- Standard SMILES
CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1- InChIKey
WSEZWDSYYPQFQC-UHFFFAOYSA-N- Molecular formula
- C25H23N3O3S
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.14601278
Names & identifiers
- Preferred name
- N-(4-ethoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
- IUPAC
- N-(4-ethoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
- English name
- N-(4-ethoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
- Molecular formula
- C25H23N3O3S
- Molecular weight
- 445.53
Names & synonyms
N-(4-ethoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide613227-96-6STL336008AKOS002177768ST041161N-(4-ETHOXY-PH)-2-((3-(4-ME-PH)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL)THIO)ACETAMIDEN-(4-ethoxyphenyl)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetamideN-(4-ethoxyphenyl)-2-[3-(4-methylphenyl)-4-oxo(3-hydroquinazolin-2-ylthio)]ace tamideN-(4-ethoxyphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamideAcetamide, 2-[[3,4-dihydro-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-ethoxyphenyl)-
Database identifiers
- CAS
613227-96-6- PubChem CID
- 986129
- EC Number
- 137-575-3
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 684
Physicochemical properties
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.70(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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