[[2-(4-Chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino] 4-fluorobenzoate
Basic information
- CAS
478041-89-3- Standard SMILES
O=C(ON=Cc1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1ccc(F)cc1- InChIKey
PWFADEHWXCRWTR-UHFFFAOYSA-N- Molecular formula
- C23H17ClFN3O2S
- Average molar mass
- 453.9 g/mol
Names & identifiers
- Preferred name
- [[2-(4-Chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino] 4-fluorobenzoate
- IUPAC
- [[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino] 4-fluorobenzoate
- English name
- 2-(4-Chlorophenyl)-3-(([(4-fluorobenzoyl)oxy]imino)methyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
- Molecular formula
- C23H17ClFN3O2S
- Molecular weight
- 453.92
Names & synonyms
2-(4-Chlorophenyl)-3-(([(4-fluorobenzoyl)oxy]imino)methyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazoleImidazo[2,1-b]benzothiazole-3-carboxaldehyde, 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-, O-(4-fluorobenzoyl)oximeN-((E)-[2-(4-CHLOROPHENYL)-5,6,7,8-TETRAHYDROIMIDAZO[2,1-B][1,3]BENZOTHIAZOL-3-YL]METHYLIDENE)-N-[(4-FLUOROBENZOYL)OXY]AMINE(E)-{[4-(4-chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]methylidene}amino 4-fluorobenzoate
Database identifiers
- CAS
478041-89-3
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.20(Predicted)
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Compound notes
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