Basic information
- CAS
47747-80-8- Standard SMILES
CCN1/C(=C/C(C)=C/c2sc3cc(C)c(C)cc3[n+]2CC)Oc2ccc(-c3ccccc3)cc21- InChIKey
RJDHZEMECTVYFQ-UHFFFAOYSA-N- Molecular formula
- C30H31N2OS+
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.21570979
Names & identifiers
- Preferred name
- (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
- IUPAC
- (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
Database identifiers
- CAS
47747-80-8- PubChem CID
- 5756563
- Nikkaji
- J366.627A
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 1
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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