Basic information
- CAS
83671-56-1- Standard SMILES
CSc1nc2ccccc2c(=O)n1C1CCCCC1- InChIKey
IWNOXYDFAMUXDF-UHFFFAOYSA-N- Molecular formula
- C15H18N2OS
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.11398438
Names & identifiers
- Preferred name
- 3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
- IUPAC
- 3-cyclohexyl-2-methylsulfanylquinazolin-4-one
Names & synonyms
3-cyclohexyl-2-methylsulfanylquinazolin-4-one83671-56-13-cyclohexyl-2-(methylsulfanyl)quinazolin-4(3H)-oneChemDiv3_012566Oprea1_608765Oprea1_7461203-Cyclohexyl-2-methylsulfanyl-3H-quinazolin-4-oneMLS001201025CHEMBL1517465DTXSID801326465HMS1508L04HMS2853M04
Show more names
CCG-33650STK840516AKOS000590852SMR0005642073-cyclohexyl-2-(methylthio)quinazolin-4(3H)-oneSR-01000556916SR-01000556916-1BRD-K09748971-001-01-3
Database identifiers
- CAS
83671-56-1- PubChem CID
- 866369
- DTXSID
DTXSID801326465- ChEMBL
CHEMBL1517465
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Solubility1 [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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