6-[(E)-2-phenylethenyl]-5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
Basic information
- CAS
16290-67-8- Standard SMILES
O=c1[nH]c(/C=C/c2ccccc2)c(S(=O)(=O)N2CCCCC2)c(=O)[nH]1- InChIKey
CXYDUWMAYQEETG-MDZDMXLPSA-N- Molecular formula
- C17H19N3O4S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.10962727
Names & identifiers
- Preferred name
- 6-[(E)-2-phenylethenyl]-5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
- IUPAC
- 6-[(E)-2-phenylethenyl]-5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
Names & synonyms
NSC21041516290-67-8DTXSID70421187NSC-2104156-[(E)-2-Phenylethen-1-yl]-5-(piperidine-1-sulfonyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
16290-67-8- PubChem CID
- 5863409
- DTXSID
DTXSID70421187
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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