Basic information
- CAS
51471-47-7- Standard SMILES
CC(=O)Nc1nc(Cl)c([N+](=O)[O-])c(SCc2ccccc2)n1- InChIKey
POZCILZGMBWJBG-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4O3S
- Average molar mass
- 338.77 g/mol
- Monoisotopic mass
- 338.0240391
Names & identifiers
- Preferred name
- N-(4-benzylsulfanyl-6-chloro-5-nitropyrimidin-2-yl)acetamide
- IUPAC
- N-(4-benzylsulfanyl-6-chloro-5-nitropyrimidin-2-yl)acetamide
Names & synonyms
51471-47-7N-(4-benzylsulfanyl-6-chloro-5-nitropyrimidin-2-yl)acetamideNSC177358DTXSID70304623NSC166533NSC-166533NSC-177358N-[4-(benzylsulfanyl)-6-chloro-5-nitropyrimidin-2-yl]acetamide
Database identifiers
- CAS
51471-47-7- PubChem CID
- 296401
- DTXSID
DTXSID70304623
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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