Acetamide, 2-((1-(p-chlorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
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Basic information
- CAS
77952-76-2- Standard SMILES
Cc1nc([N+](=O)[O-])c(SCC(N)=O)n1Cc1ccc(Cl)cc1- InChIKey
QQAZAXQSBKQIAI-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4O3S
- Average molar mass
- 340.79 g/mol
- Monoisotopic mass
- 340.0396892
Names & identifiers
- Preferred name
- Acetamide, 2-((1-(p-chlorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
- IUPAC
- 2-[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetamide
- English name
- 2-[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanyla cetamide
- Molecular formula
- C13H13ClN4O3S
- Molecular weight
- 0
Names & synonyms
77952-76-2BRN 5134561ACETAMIDE, 2-((1-(p-CHLOROBENZYL)-2-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)-DTXSID702286182-((1-(p-Chlorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetamideRefChem:314318DTXCID201511092-({1-[(4-chlorophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)acetamide2-[3-[(4-CHLOROPHENYL)METHYL]-2-METHYL-5-NITRO-IMIDAZOL-4-YL]SULFANYLA CETAMIDEAG-205/079460062-({1-(4-chlorobenzyl)-4-nitro-2-methyl-1H-imidazol-5-yl}sulfanyl)acetamide
Database identifiers
- CAS
77952-76-2- PubChem CID
- 53856
- DTXSID
DTXSID70228618- Nikkaji
- J72.538B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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