Basic information
- Standard SMILES
C#Cc1cnc2ccc(OC(SC)C(=O)NC3(C#C)CCC3)cc2c1- InChIKey
CHVHUFICKIWATJ-UHFFFAOYSA-N- Molecular formula
- C20H18N2O2S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.10889899
Names & identifiers
- Preferred name
- N-(1-ethynyl-cyclobutyl)-2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetamide
- IUPAC
- N-(1-ethynylcyclobutyl)-2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetamide
Names & synonyms
SCHEMBL2866336CHVHUFICKIWATJ-UHFFFAOYSA-NN-(1-ethynyl-cyclobutyl)-2-(3-ethynyl-quinolin-6-yloxy)-2-methylsulfanyl-acetamide
Database identifiers
- PubChem CID
- 59565355
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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