Benzeneacetic acid, 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methyl-, methyl ester
Basic information
- CAS
102038-05-1- Standard SMILES
CCCCSc1nc2ccccc2c(=O)n1-c1ccc(C(C)C(=O)OC)cc1- InChIKey
BSJQITXFHXFHFZ-UHFFFAOYSA-N- Molecular formula
- C22H24N2O3S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.15076381
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methyl-, methyl ester
- IUPAC
- methyl 2-[4-(2-butylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate
Names & synonyms
Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate102038-05-1Benzeneacetic acid, 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methyl-, methyl esterRefChem:324171DTXSID80907003Methyl 2-{4-[2-(butylsulfanyl)-4-oxoquinazolin-3(4H)-yl]phenyl}propanoate
Database identifiers
- CAS
102038-05-1- PubChem CID
- 3064239
- DTXSID
DTXSID80907003
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 586
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Compound notes
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