N-(4-Methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)-2-[[4-methyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
Basic information
- CAS
956769-54-3- Standard SMILES
Cn1c(Cc2cccs2)nnc1SCC(=O)NN1C(=O)NC(C)(c2ccccc2)C1=O- InChIKey
USTHWYFYJYFKCY-UHFFFAOYSA-N- Molecular formula
- C20H20N6O3S2
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.10383087
Names & identifiers
- Preferred name
- N-(4-Methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)-2-[[4-methyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
- IUPAC
- N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
DTXSID801105617AKOS033537209956769-54-3N-(4-Methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)-2-[[4-methyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetamideZ16818112
Database identifiers
- CAS
956769-54-3- PubChem CID
- 16366602
- DTXSID
DTXSID801105617
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
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Compound notes
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