Basic information
- CAS
77952-72-8- Standard SMILES
NC(=O)CSc1c([N+](=O)[O-])ncn1Cc1ccccc1- InChIKey
WEVFVSGDSAWVNW-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3S
- Average molar mass
- 292.32 g/mol
- Monoisotopic mass
- 292.06301143
Names & identifiers
- Preferred name
- Acetamide, 2-((1-benzyl-4-nitro-1H-imidazol-5-yl)thio)-
- IUPAC
- 2-(3-benzyl-5-nitroimidazol-4-yl)sulfanylacetamide
Names & synonyms
BRN 5101292ACETAMIDE, 2-((1-BENZYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)-77952-72-82-((1-Benzyl-4-nitro-1H-imidazol-5-yl)thio)acetamideDTXSID30228614RefChem:314322DTXCID801511052-[(1-benzyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetamide
Database identifiers
- CAS
77952-72-8- PubChem CID
- 53853
- DTXSID
DTXSID30228614- Nikkaji
- J72.518H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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