Basic information
- CAS
312274-84-3- Standard SMILES
CC(NC(=O)CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccccc1- InChIKey
CUNJYZJOJJYKJT-UHFFFAOYSA-N- Molecular formula
- C24H20FN3OS2
- Average molar mass
- 449.6 g/mol
Names & identifiers
- Preferred name
- 2-[[6-[(4-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
- IUPAC
- 2-[[6-[(4-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
- English name
- 2-({6-[(4-fluorobenzylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(1-phenylethyl)acetamide
- Molecular formula
- C24H20FN3OS2
- Molecular weight
- 449.56
Names & synonyms
2-({6-[(4-fluorobenzylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(1-phenylethyl)acetamideOprea1_701248STK757515AKOS0017013862-[[6-[(4-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamideAG-205/099490272-({6-[(E)-[(4-FLUOROPHENYL)METHYLIDENE]AMINO]-1,3-BENZOTHIAZOL-2-YL}SULFANYL)-N-(1-PHENYLETHYL)ACETAMIDE2-[(6-{[(E)-(4-fluorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamideAcetamide, 2-[[6-[[(4-fluorophenyl)methylene]amino]-2-benzothiazolyl]thio]-N-(1-phenylethyl)-
Database identifiers
- CAS
312274-84-3
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 608
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 13.7 · 13.70±0.46(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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