4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-
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Basic information
- CAS
104819-42-3- Standard SMILES
Cc1cc2oc(C)c(-c3csc4nc(-c5ccc(Br)cc5)cn34)c(=O)c2cc1Cl- InChIKey
KQGHCUAFIWHZBC-UHFFFAOYSA-N- Molecular formula
- C22H14BrClN2O2S
- Average molar mass
- 485.8 g/mol
- Monoisotopic mass
- 483.96479
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-
- IUPAC
- 3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-6-chloro-2,7-dimethylchromen-4-one
- English name
- 3-[3-(4-bromophenyl)-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-8- yl]-6-chloro-2,7-dimethyl-chromen-4-one
- Molecular formula
- C22H14BrClN2O2S
- Molecular weight
- 0
Names & synonyms
104819-42-3BRN 56515044H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-DTXSID701467673-(6-(4-Bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-4H-1-benzopyran-4-oneChromone, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-RefChem:297297DTXCID00692583-(6-(4-Bromophenyl)imidazo[2,1-b]thiazol-3-yl)-6-chloro-2,7-dimethyl-4H-chromen-4-one3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-6-chloro-2,7-dimethyl-4H-chromen-4-one3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-6-chloro-2,7-dimethylchromen-4-one3-[3-(4-bromophenyl)-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-8- yl]-6-chloro-2,7-dimethyl-chr
Show more names
3-[3-(4-bromophenyl)-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-8- yl]-6-chloro-2,7-dimethyl-chromen-4-one
3-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-6-chloro-2,7-dimethyl-4H-1-benzopyran-4-one
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 698
Related reactions
0 records
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Compound notes
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