N-(5-methylisoxazol-3-yl)-2-((1-(4-nitrophenyl)-1H-imidazol-2-yl)thio)acetamide
Basic information
- CAS
851079-61-3- Standard SMILES
Cc1cc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)no1- InChIKey
DJABOXNFCHUEBL-UHFFFAOYSA-N- Molecular formula
- C15H13N5O4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.06882509
Names & identifiers
- Preferred name
- N-(5-methylisoxazol-3-yl)-2-((1-(4-nitrophenyl)-1H-imidazol-2-yl)thio)acetamide
- IUPAC
- N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetamide
Names & synonyms
851079-61-3N-(5-methyl-1,2-oxazol-3-yl)-2-{[1-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamideN-(5-methylisoxazol-3-yl)-2-((1-(4-nitrophenyl)-1H-imidazol-2-yl)thio)acetamideN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetamideMLS000683035CHEMBL1348644DTXSID501321973HMS2714I06AKOS024586007SMR000323110AB00586202-02F0599-0562
Database identifiers
- CAS
851079-61-3- PubChem CID
- 4142176
- DTXSID
DTXSID501321973- ChEMBL
CHEMBL1348644
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
Experimental & physicochemical properties
Solubility33.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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