3-(4-sec-butylphenyl)-2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-6-(methylsulfonyl)quinazolin-4(3H)-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCC(C)c1ccc(-n2c(-c3cc(C)c(OCCO)c(C)c3)nc3ccc(S(C)(=O)=O)cc3c2=O)cc1- InChIKey
LVQNHQOUQNMLEP-UHFFFAOYSA-N- Molecular formula
- C29H32N2O5S
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.2031933
Names & identifiers
- Preferred name
- 3-(4-sec-butylphenyl)-2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-6-(methylsulfonyl)quinazolin-4(3H)-one
- IUPAC
- 3-(4-butan-2-ylphenyl)-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-6-methylsulfonylquinazolin-4-one
Names & synonyms
SCHEMBL2564144LVQNHQOUQNMLEP-UHFFFAOYSA-N3-(4-sec-butylphenyl)-2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-6-(methylsulfonyl)quinazolin-4(3H)-one
Database identifiers
- PubChem CID
- 46841006
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 911
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…