3-(4-Ethoxyphenyl)-2-((2-(2-naphthyl)-2-oxoethyl)thio)-4(3H)-quinazolinone
Basic information
- CAS
618432-30-7- Standard SMILES
CCOc1ccc(-n2c(SCC(=O)c3ccc4ccccc4c3)nc3ccccc3c2=O)cc1- InChIKey
SMKTUJVWYJZSMV-UHFFFAOYSA-N- Molecular formula
- C28H22N2O3S
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.13511374
Names & identifiers
- Preferred name
- 3-(4-Ethoxyphenyl)-2-((2-(2-naphthyl)-2-oxoethyl)thio)-4(3H)-quinazolinone
- IUPAC
- 3-(4-ethoxyphenyl)-2-(2-naphthalen-2-yl-2-oxoethyl)sulfanylquinazolin-4-one
- English name
- SALOR-INT L417068-1EA
- Molecular formula
- C28H22N2O3S
- Molecular weight
- 466.55
Names & synonyms
618432-30-73-(4-ETHOXYPHENYL)-2-((2-(2-NAPHTHYL)-2-OXOETHYL)THIO)-4(3H)-QUINAZOLINONERefChem:492980638-400-83-(4-Ethoxyphenyl)-2-((2-(naphthalen-2-yl)-2-oxoethyl)thio)quinazolin-4(3H)-one3-(4-ethoxyphenyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}-3,4-dihydroquinazolin-4-oneSTL144813AKOS005743496ST504253703-(4-ethoxyphenyl)-2-(2-(2-naphthyl)-2-oxoethylthio)-3-hydroquinazolin-4-one3-(4-ethoxyphenyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-oneSALOR-INT L417068-1EA
Show more names
4(3H)-Quinazolinone, 3-(4-ethoxyphenyl)-2-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-
Database identifiers
- CAS
618432-30-7- PubChem CID
- 4586604
- EC Number
- 638-400-8
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 763
Physicochemical properties
- Boiling point
- 687.4 · 687.4±65.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 0.05 · 0.05±0.20(Predicted)
- 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
Loading…