Basic information
- CAS
65141-65-3- Standard SMILES
CCOC(=O)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1- InChIKey
SXBQFPIZJNJOEA-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.07251349
Names & identifiers
- Preferred name
- Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoate
- IUPAC
- ethyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
Names & synonyms
65141-65-3Ethyl 4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoateZINC00424936Oprea1_851352DTXSID001173969Ethyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzoateAKOS002092515SR-01000556686SR-01000556686-1Benzoic acid, 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-, ethyl ester
Database identifiers
- CAS
65141-65-3- PubChem CID
- 4092863
- DTXSID
DTXSID001173969
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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