1,2,4-Benzothiadiazepine, 2,5-dihydro-2-hexyl-3-methyl-, 1,1-dioxide
Basic information
- CAS
47037-60-5- Standard SMILES
CCCCCCN1C(C)=NCc2ccccc2S1(=O)=O- InChIKey
LQMMFMUBLQNFON-UHFFFAOYSA-N- Molecular formula
- C15H22N2O2S
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.14019912
Names & identifiers
- Preferred name
- 1,2,4-Benzothiadiazepine, 2,5-dihydro-2-hexyl-3-methyl-, 1,1-dioxide
- IUPAC
- 2-hexyl-3-methyl-5H-1λ6,2,4-benzothiadiazepine 1,1-dioxide
Names & synonyms
BRN 10040191,2,4-Benzothiadiazepine, 2,5-dihydro-2-hexyl-3-methyl-, 1,1-dioxide47037-60-5DTXSID801970082,5-Dihydro-2-hexyl-3-methyl-1,2,4-benzothiadiazepine 1,1-dioxideRefChem:214881DTXCID501194992-Hexyl-3-methyl-2,5-dihydro-1H-1lambda~6~,2,4-benzothiadiazepine-1,1-dione
Database identifiers
- CAS
47037-60-5- PubChem CID
- 206264
- DTXSID
DTXSID80197008
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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