N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Basic information
- CAS
762255-14-1- Standard SMILES
CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F)C1CCS(=O)(=O)C1- InChIKey
VIAAOFHGAZMQJX-UHFFFAOYSA-N- Molecular formula
- C22H22FN3O4S2
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.1035767
Names & identifiers
- Preferred name
- N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
- IUPAC
- N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Names & synonyms
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamideMLS002245913CHEMBL1723951DTXSID401333096HMS3052A10AKOS002491563762255-14-1SMR001309544AB00725899-01Z19082977N-(1,1-Dioxo-1lambda~6~-thiolan-3-yl)-N-ethyl-2-{[3-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Database identifiers
- CAS
762255-14-1- PubChem CID
- 3923619
- DTXSID
DTXSID401333096- ChEMBL
CHEMBL1723951
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 860
Experimental & physicochemical properties
Solubility9.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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