N-[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]benzamide
Basic information
- CAS
80936-57-8- Standard SMILES
CCOc1cccc(Cc2cn(Cc3cccc(NC(=O)c4ccccc4)c3)c(=O)[nH]c2=O)c1- InChIKey
CFMCVKHVSXJMCL-UHFFFAOYSA-N- Molecular formula
- C27H25N3O4
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.18450629
Names & identifiers
- Preferred name
- N-[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]benzamide
- IUPAC
- N-[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]benzamide
Names & synonyms
NSC21227980936-57-8CHEMBL357966DTXSID70309552NSC-212279N-[3-({5-[(3-Ethoxyphenyl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)phenyl]benzamide
Database identifiers
- CAS
80936-57-8- PubChem CID
- 309841
- DTXSID
DTXSID70309552- ChEMBL
CHEMBL357966
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 761
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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