Basic information
- CAS
100037-25-0- Standard SMILES
COc1ccccc1/C=C1\N=C(C)N(c2nnc(-c3ccccc3)s2)C1=O- InChIKey
RTXLJRVCPBCXOD-VBKFSLOCSA-N- Molecular formula
- C20H16N4O2S
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.09939694
Names & identifiers
- Preferred name
- 4H-Imidazol-4-one, 3,5-dihydro-5-((2-methoxyphenyl)methylene)-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-
- IUPAC
- (5Z)-5-[(2-methoxyphenyl)methylidene]-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Names & synonyms
100037-25-04H-Imidazol-4-one, 3,5-dihydro-5-((2-methoxyphenyl)methylene)-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-RefChem:1071977
Database identifiers
- CAS
100037-25-0- PubChem CID
- 6447762
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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