Basic information
- Standard SMILES
C=C(C)c1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4)c(=O)c3)CC2)nc1- InChIKey
ZKWGHJBUQQZJDK-UHFFFAOYSA-N- Molecular formula
- C24H26N4O4S
- Average molar mass
- 466.6 g/mol
Names & identifiers
- Preferred name
- 1-(4-(methylsulfonyl)phenyl)-4-(1-(5-(prop-1-en-2-yl)pyrimidin-2-yl)piperidin-4-yloxy)pyridin-2(1H)-one
- IUPAC
- 1-(4-methylsulfonylphenyl)-4-[1-(5-prop-1-en-2-ylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
Names & synonyms
SCHEMBL2330147ZKWGHJBUQQZJDK-UHFFFAOYSA-N1-(4-(methylsulfonyl)phenyl)-4-(1-(5-(prop-1-en-2-yl)pyrimidin-2-yl)piperidin-4-yloxy)pyridin-2(1H)-one
Database identifiers
- PubChem CID
- 67366132
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 886
Related reactions
4 records
Compound notes
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