Basic information
- CAS
1031577-46-4- Standard SMILES
Cc1cccc(NC(=O)CN2CCCN(Cc3cccc(F)c3)S2(=O)=O)c1- InChIKey
MGDFLKGTLSOKOR-UHFFFAOYSA-N- Molecular formula
- C19H22FN3O3S
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.13659091
Names & identifiers
- Preferred name
- 2-[6-(3-fluorobenzyl)-1,1-dioxido-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide
- IUPAC
- 2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide
Names & synonyms
2-[6-(3-fluorobenzyl)-1,1-dioxido-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide1031577-46-42-{6-[(3-Fluorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}-N-(3-methylphenyl)acetamideDTXSID001111648AKOS0020328012-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide2H-1,2,6-Thiadiazine-2-acetamide, 6-[(3-fluorophenyl)methyl]tetrahydro-N-(3-methylphenyl)-, 1,1-dioxide
Database identifiers
- CAS
1031577-46-4- PubChem CID
- 46341981
- DTXSID
DTXSID001111648
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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