N-[[4-(4-chlorophenyl)phenyl]methyl]-N-[2-(diethylamino)ethyl]-2-[5-[(dimethylamino)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetamide
Basic information
- CAS
356057-43-7- Standard SMILES
CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(CN(C)C)c(=O)nc1SCc1ccc(F)cc1- InChIKey
CSAOECNNUYJRTM-UHFFFAOYSA-N- Molecular formula
- C35H41ClFN5O2S
- Average molar mass
- 650.2 g/mol
- Monoisotopic mass
- 649.2653526
Names & identifiers
- Preferred name
- N-[[4-(4-chlorophenyl)phenyl]methyl]-N-[2-(diethylamino)ethyl]-2-[5-[(dimethylamino)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetamide
- IUPAC
- N-[[4-(4-chlorophenyl)phenyl]methyl]-N-[2-(diethylamino)ethyl]-2-[5-[(dimethylamino)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetamide
Names & synonyms
TCMDC-140406CHEMBL528177SCHEMBL13314054DTXSID601099749356057-43-7N-[(4a(2)-Chloro[1,1a(2)-biphenyl]-4-yl)methyl]-N-[2-(diethylamino)ethyl]-5-[(dimethylamino)methyl]-2-[[(4-fluorophenyl)methyl]thio]-4-oxo-1(4H)-pyrimidineacetamide
Database identifiers
- CAS
356057-43-7- PubChem CID
- 10146212
- DTXSID
DTXSID601099749- ChEMBL
CHEMBL528177
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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