Basic information
- Standard SMILES
CCOc1cc(C2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc(C#N)c1O- InChIKey
LCQKPHPMNIMILY-UHFFFAOYSA-N- Molecular formula
- C23H19N3O3S
- Average molar mass
- 417.5 g/mol
Names & identifiers
- Preferred name
- 3-Ethoxy-2-hydroxy-5-(2-oxo-6-phenyl-5-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidin-4-yl)benzonitrile
- IUPAC
- 3-ethoxy-2-hydroxy-5-(2-oxo-6-phenyl-5-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile
Names & synonyms
SCHEMBL876256LCQKPHPMNIMILY-UHFFFAOYSA-N3-ethoxy-2-hydroxy-5-(2-oxo-6-phenyl-5-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidin-4-yl)benzonitrile
Database identifiers
- PubChem CID
- 51348950
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 712
Related reactions
3 records
Compound notes
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