Basic information
- Standard SMILES
COC1(c2nc3ccccc3s2)C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1- InChIKey
PHIGURWOADLFSC-UHFFFAOYSA-N- Molecular formula
- C21H18N2O3S2
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- N-[4-methoxy-4-(benzothiazol-2-yl)cyclohexa-2,5-dienylidene]4-methylbenzenesulphonamide
- IUPAC
- N-[4-(1,3-benzothiazol-2-yl)-4-methoxycyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide
Names & synonyms
CHEMBL356657SCHEMBL3677576PHIGURWOADLFSC-UHFFFAOYSA-NN-(4-Benzothiazol-2-yl-4-methoxy-cyclohexa-2,5-dienylidene)-4-methyl-benzenesulfonamideN-[4-methoxy-4-(benzothiazol-2-yl)cyclohexa-2,5-dienylidene]-4-methylbenzenesulphonamideN-[4-methoxy-4-(benzothiazol-2-yl)cyclohexa-2,5-dienylidene]4-methylbenzenesulphonamideN-[4-(1,3-benzothiazol-2-yl)-4-methoxy-cyclohexa-2,5-dien-1-ylidene]-4-methyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 482713
- ChEMBL
CHEMBL356657
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 745
Related reactions
1 records
Compound notes
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