Basic information
- CAS
76834-51-0- Standard SMILES
CCCc1nnc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2C)s1- InChIKey
NMYCNBOFBNHOGC-LCYFTJDESA-N- Molecular formula
- C16H15ClN4OS
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.06551
Names & identifiers
- Preferred name
- 4H-Imidazol-4-one, 5-((4-chlorophenyl)methylene)-3,5-dihydro-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)-
- IUPAC
- (5Z)-5-[(4-chlorophenyl)methylidene]-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Names & synonyms
4H-Imidazol-4-one, 5-((4-chlorophenyl)methylene)-3,5-dihydro-2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)-76834-51-0RefChem:1072034
Database identifiers
- CAS
76834-51-0- PubChem CID
- 6435355
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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