Basic information
- CAS
329929-14-8- Standard SMILES
COc1cccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1- InChIKey
ABWIJFCVYFBWPS-UHFFFAOYSA-N- Molecular formula
- C23H18N2O3S
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.10381361
Names & identifiers
- Preferred name
- 2-{[2-(3-Methoxyphenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one
- IUPAC
- 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
- English name
- 2-([2-(3-METHOXYPHENYL)-2-OXOETHYL]SULFANYL)-3-PHENYL-4(3H)-QUINAZOLINONE
- Molecular formula
- C23H18N2O3S
- Molecular weight
- 402.47
Names & synonyms
329929-14-82-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-oneOprea1_262096AKOS005105719JS-1293ST0074572-((2-(3-Methoxyphenyl)-2-oxoethyl)thio)-3-phenylquinazolin-4(3H)-one2-[2-(3-methoxyphenyl)-2-oxoethylthio]-3-phenyl-3-hydroquinazolin-4-one4(3H)-Quinazolinone, 2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-3-phenyl-2-([2-(3-METHOXYPHENYL)-2-OXOETHYL]SULFANYL)-3-PHENYL-4(3H)-QUINAZOLINONE
Database identifiers
- CAS
329929-14-8- PubChem CID
- 1274363
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Boiling point
- 592.8 · 592.8±56.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- -0.75 · -0.75±0.20(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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