Basic information
- CAS
102037-98-9- Standard SMILES
CCSc1nc2ccccc2c(=O)n1-c1ccc(CC(=O)OC)cc1- InChIKey
JAWHPDHSXDYEJI-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.10381361
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester
- IUPAC
- methyl 2-[4-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)phenyl]acetate
Names & synonyms
Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester4-(2-(Ethylthio)-4-oxo-3(4H)-quinazolinyl)benzeneacetic acid methyl ester102037-98-9Methyl 4-((2-ethylthio-4(3H)-quinazolon-3-yl)phenyl)acetateDTXSID90144543RefChem:324173DTXCID2067034Methyl {4-[2-(ethylsulfanyl)-4-oxoquinazolin-3(4H)-yl]phenyl}acetate
Database identifiers
- CAS
102037-98-9- PubChem CID
- 3064232
- DTXSID
DTXSID90144543
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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