Basic information
- CAS
69180-95-6- Standard SMILES
Cc1cc(C)n(-c2ccc(S(=O)(=O)N3CC(=O)N(c4ccccc4)C3=S)cc2)n1- InChIKey
RXIHEMAIFQWDBH-UHFFFAOYSA-N- Molecular formula
- C20H18N4O3S2
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.0820328
Names & identifiers
- Preferred name
- 1-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
- IUPAC
- 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
Names & synonyms
69180-95-6NSC336025CHEMBL3228958DTXSID10318789NSC-3360251-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl]-3-phenyl-2-sulfanylideneimidazolidin-4-oneDS-0085561-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-phenyl-2-sulfanylidene-imidazolidin-4-one
Database identifiers
- CAS
69180-95-6- PubChem CID
- 333605
- DTXSID
DTXSID10318789- ChEMBL
CHEMBL3228958
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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