6-chloro-3-(2,4-dichloro-5-isopropoxyphenyl)-2-(methylsulfanyl)-4(3H)-quinazolinone
Basic information
- CAS
339099-29-5- Standard SMILES
CSc1nc2ccc(Cl)cc2c(=O)n1-c1cc(OC(C)C)c(Cl)cc1Cl- InChIKey
KBJNKURAOOCGGG-UHFFFAOYSA-N- Molecular formula
- C18H15Cl3N2O2S
- Average molar mass
- 429.7 g/mol
Names & identifiers
- Preferred name
- 6-chloro-3-(2,4-dichloro-5-isopropoxyphenyl)-2-(methylsulfanyl)-4(3H)-quinazolinone
- IUPAC
- 6-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylquinazolin-4-one
- English name
- 6-Chloro-3-(2,4-dichloro-5-isopropoxyphenyl)-2-(methylsulfanyl)-4(3H)-quinazolinone
- Molecular formula
- C18H15Cl3N2O2S
- Molecular weight
- 429.75
Names & synonyms
339099-29-56-chloro-3-(2,4-dichloro-5-isopropoxyphenyl)-2-(methylsulfanyl)-4(3H)-quinazolinone6-chloro-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylquinazolin-4-one6-chloro-3-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-oneOprea1_474588AKOS0051033308L-328S4(3H)-Quinazolinone, 6-chloro-3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-2-(methylthio)-
Database identifiers
- CAS
339099-29-5
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Boiling point
- 578.2 · 578.2±60.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -3.47 · -3.47±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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