N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
Basic information
- CAS
51471-46-6- Standard SMILES
CC(=O)Nc1nc(SCc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1- InChIKey
AKUOIRZWRLSYEA-UHFFFAOYSA-N- Molecular formula
- C13H12N4O4S
- Average molar mass
- 320.33 g/mol
- Monoisotopic mass
- 320.05792605
Names & identifiers
- Preferred name
- N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
- IUPAC
- N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
Names & synonyms
51471-46-6NSC 145923NSC145923N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamiden-[4-(benzylsulfanyl)-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl]acetamideDTXSID70301697NSC-145923
Database identifiers
- CAS
51471-46-6- PubChem CID
- 286765
- DTXSID
DTXSID70301697
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 547
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Compound notes
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