[2-Chloro-6-methoxy-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-methoxybenzoate
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Basic information
- CAS
491582-31-1- Standard SMILES
COc1ccc(C(=O)Oc2c(Cl)cc(C=c3sc4nc5ccccc5n4c3=O)cc2OC)cc1- InChIKey
CVHNSFPMTCXUEZ-UHFFFAOYSA-N- Molecular formula
- C25H17ClN2O5S
- Average molar mass
- 492.9 g/mol
- Monoisotopic mass
- 492.0546705
Names & identifiers
- Preferred name
- [2-Chloro-6-methoxy-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-methoxybenzoate
- IUPAC
- [2-chloro-6-methoxy-4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-methoxybenzoate
- English name
- 2-chloro-6-methoxy-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate
- Molecular formula
- C25H17ClN2O5S
- Molecular weight
- 492.93
Names & synonyms
2-chloro-6-methoxy-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate
Database identifiers
- CAS
491582-31-1- PubChem CID
- 3574729
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 804
Physicochemical properties
- Boiling point
- 753.952 · 753.952±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.434 · 1.434±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.059 · 1.059±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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