Basic information
- Standard SMILES
C=C(C)c1cnc(N2CCC(c3ccc(COc4ccc(S(C)(=O)=O)cc4)nc3)CC2)nc1- InChIKey
BOIBCLVBCAAUNK-UHFFFAOYSA-N- Molecular formula
- C25H28N4O3S
- Average molar mass
- 464.6 g/mol
Names & identifiers
- Preferred name
- 5-Isopropenyl-2-[4-[2-(4-methanesulfonylphenoxymethyl)pyridin-5-yl]piperidin-1-yl]pyrimidine
- IUPAC
- 2-[4-[6-[(4-methylsulfonylphenoxy)methyl]-3-pyridinyl]piperidin-1-yl]-5-prop-1-en-2-ylpyrimidine
Names & synonyms
SCHEMBL1577737BOIBCLVBCAAUNK-UHFFFAOYSA-N5-Isopropenyl-2-[4-[2-(4-methanesulfonylphenoxymethyl)pyridin-5-yl]piperidin-1-yl]pyrimidine
Database identifiers
- PubChem CID
- 67083237
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 731
Related reactions
3 records
Compound notes
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