Basic information
- CAS
6059-27-4- Standard SMILES
CC(C)(C)N1C(=O)C2CC=C3C(CC4(Cl)C(=O)N(c5ccc(F)cc5)C(=O)C4(Cl)C3c3cc(Br)ccc3O)C2C1=O- InChIKey
WYQRWPPAZDXKBN-UHFFFAOYSA-N- Molecular formula
- C30H26BrCl2FN2O5
- Average molar mass
- 664.3 g/mol
- Monoisotopic mass
- 662.03862
Names & identifiers
- Preferred name
- 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide
- IUPAC
- 6-(5-bromo-2-hydroxyphenyl)-2-tert-butyl-6a,9a-dichloro-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Names & synonyms
6059-27-45,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide6-(5-bromo-2-hydroxyphenyl)-2-tert-butyl-6a,9a-dichloro-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetroneAGN-PC-0LOQV8DTXSID904112476-(5-Bromo-2-hydroxyphenyl)-2-tert-butyl-6a,9a-dichloro-8-(4-fluorophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
Database identifiers
- CAS
6059-27-4- PubChem CID
- 5223604
- DTXSID
DTXSID90411247
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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