N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanylacetamide
Basic information
- CAS
721901-68-4- Standard SMILES
O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)OCCO2- InChIKey
YKODNCKXDVHLNF-UHFFFAOYSA-N- Molecular formula
- C18H15N3O3S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.08341252
Names & identifiers
- Preferred name
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanylacetamide
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanylacetamide
Names & synonyms
721901-68-4N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanylacetamideN-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(quinazolin-4-ylthio)acetamideN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylsulfanyl)acetamideZINC03254330MLS001033035CHEMBL1549556DTXSID601329168HMS2708H22CCG-31324AKOS017006852SMR000385446
Show more names
AB00610820-02Z19314878F0674-0054N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(quinazolin-4-yl)sulfanyl]acetamide
Database identifiers
- CAS
721901-68-4- PubChem CID
- 2371073
- DTXSID
DTXSID601329168- ChEMBL
CHEMBL1549556
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Experimental & physicochemical properties
Solubility1.3 [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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