4-Amino-5-(3,4-dichlorophenyl)-1-[3-(4-nitrophenyl)sulfanylpropyl]pyrimidin-2-one
Basic information
- CAS
26159-16-0- Standard SMILES
Nc1nc(=O)n(CCCSc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(Cl)c(Cl)c1- InChIKey
LMVFNWBJNOWIGW-UHFFFAOYSA-N- Molecular formula
- C19H16Cl2N4O3S
- Average molar mass
- 451.3 g/mol
- Monoisotopic mass
- 450.0320169
Names & identifiers
- Preferred name
- 4-Amino-5-(3,4-dichlorophenyl)-1-[3-(4-nitrophenyl)sulfanylpropyl]pyrimidin-2-one
- IUPAC
- 4-amino-5-(3,4-dichlorophenyl)-1-[3-(4-nitrophenyl)sulfanylpropyl]pyrimidin-2-one
Names & synonyms
26159-16-0NSC2110764-amino-5-(3,4-dichlorophenyl)-1-[3-(4-nitrophenyl)sulfanylpropyl]pyrimidin-2-oneDTXSID20309082NSC-2110764-Amino-5-(3,4-dichlorophenyl)-1-{3-[(4-nitrophenyl)sulfanyl]propyl}pyrimidin-2(1H)-one
Database identifiers
- CAS
26159-16-0- PubChem CID
- 308946
- DTXSID
DTXSID20309082
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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