3-methyl-4-(4-methylphenyl)-4,5-dihydro-3H-1,2lambda6,5-benzoxathiazepine 2,2-dioxide
Basic information
- CAS
20646-76-8- Standard SMILES
Cc1ccc(C2Nc3ccccc3OS(=O)(=O)C2C)cc1- InChIKey
NKKRALPFNQIVSP-UHFFFAOYSA-N- Molecular formula
- C16H17NO3S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.09291458
Names & identifiers
- Preferred name
- 3-methyl-4-(4-methylphenyl)-4,5-dihydro-3H-1,2lambda6,5-benzoxathiazepine 2,2-dioxide
- IUPAC
- 3-methyl-4-(4-methylphenyl)-4,5-dihydro-3H-1,2λ6,5-benzoxathiazepine 2,2-dioxide
Names & synonyms
20646-76-8NSC139695DTXSID70942842NSC-1396953-Methyl-4-(4-methylphenyl)-4,5-dihydro-1,2lambda~6~,5-benzoxathiazepine-2,2(3H)-dione
Database identifiers
- CAS
20646-76-8- PubChem CID
- 284084
- DTXSID
DTXSID70942842
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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