4,6(1H,5H)-Pyrimidinedione, 1-((4-butoxy-3-methoxyphenyl)methoy)dihydro-2-thioxo-
Basic information
- CAS
57737-66-3- Standard SMILES
CCCCOc1ccc(CN2C(=O)CC(=O)NC2=S)cc1OC- InChIKey
KIKJOWSJIBYNFK-UHFFFAOYSA-N- Molecular formula
- C16H20N2O4S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1143783
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, 1-((4-butoxy-3-methoxyphenyl)methoy)dihydro-2-thioxo-
- IUPAC
- 1-[(4-butoxy-3-methoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
4,6(1H,5H)-Pyrimidinedione, 1-((4-butoxy-3-methoxyphenyl)methoy)dihydro-2-thioxo-57737-66-3DTXSID102064351-((4-Butoxy-3-methoxyphenyl)methoy)dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione1-[(4-butoxy-3-methoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
57737-66-3- PubChem CID
- 3036613
- DTXSID
DTXSID10206435
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
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Compound notes
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