Benzeneacetic acid, 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester
Basic information
- CAS
102038-09-5- Standard SMILES
CCCCCC(O)CSc1nc2ccccc2c(=O)n1-c1ccc(CC(=O)OC)cc1- InChIKey
KIQAINAQPGGBSG-UHFFFAOYSA-N- Molecular formula
- C24H28N2O4S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.17697855
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester
- IUPAC
- methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]acetate
Names & synonyms
102038-09-5Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetateMethyl 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)benzeneacetateBenzeneacetic acid, 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)-, methyl esterBenzeneacetic acid, 4-[2-[(2-hydroxyheptyl)thio]-4-oxo-3(4H)-quinazolinyl]-, methyl esterRefChem:324168Methyl 2-(4-(2-((2-hydroxyheptyl)thio)-4-oxoquinazolin-3(4H)-yl)phenyl)acetatemethyl 2-(4-{2-[(2-hydroxyheptyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}phenyl)acetateDTXSID60907006Methyl (4-{2-[(2-hydroxyheptyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}phenyl)acetate
Database identifiers
- CAS
102038-09-5- PubChem CID
- 3064243
- DTXSID
DTXSID60907006
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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