1,2,4-Benzothiadiazepine, 2,5-dihydro-3-isopropyl-2-methyl-, 1,1-dioxide
Basic information
- CAS
46808-65-5- Standard SMILES
CC(C)C1=NCc2ccccc2S(=O)(=O)N1C- InChIKey
GYXWNPAZBXUZOH-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- 1,2,4-Benzothiadiazepine, 2,5-dihydro-3-isopropyl-2-methyl-, 1,1-dioxide
- IUPAC
- 2-methyl-3-propan-2-yl-5H-1λ6,2,4-benzothiadiazepine 1,1-dioxide
- English name
- 2,5-Dihydro-3-isopropyl-2-methyl-1,2,4-benzothiadiazepine 1,1-dioxide
- Molecular weight
- 0
Names & synonyms
BRN 099410646808-65-51,2,4-Benzothiadiazepine, 2,5-dihydro-3-isopropyl-2-methyl-, 1,1-dioxide2,5-Dihydro-3-isopropyl-2-methyl-1,2,4-benzothiadiazepine 1,1-dioxideDTXSID90196946RefChem:214888DTXCID301194372-Methyl-3-(propan-2-yl)-2,5-dihydro-1H-1lambda~6~,2,4-benzothiadiazepine-1,1-dione
Database identifiers
- CAS
46808-65-5- PubChem CID
- 206255
- DTXSID
DTXSID90196946
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 409
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Related reactions
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Compound notes
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