Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl ester
Basic information
- CAS
155104-16-8- Standard SMILES
COC(=O)c1ccc(-n2c(CSC(C)C(=O)O)nc3ccc(Br)cc3c2=O)cc1O- InChIKey
BSEYJOSNSXHVGH-UHFFFAOYSA-N- Molecular formula
- C20H17BrN2O6S
- Average molar mass
- 493.3 g/mol
- Monoisotopic mass
- 491.99907
Names & identifiers
- Preferred name
- Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl ester
- IUPAC
- 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
- English name
- 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid
- Molecular formula
- C20H17BrN2O6S
- Molecular weight
- 493.33
Names & synonyms
155104-16-86-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinoneBenzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl esterRefChem:3274522-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acidDTXSID509351362-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic a2-[({6-Bromo-3-[3-hydroxy-4-(methoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acidBenzoic acid, 4-[6-bromo-2-[[(1-carboxyethyl)thio]methyl]-4-oxo-3(4H)-quinazolinyl]-2-hydroxy-, 1-methyl ester
Database identifiers
- CAS
155104-16-8- PubChem CID
- 3074074
- DTXSID
DTXSID50935136
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 719
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…