Basic information
- CAS
47190-12-5- Standard SMILES
CCCCCCN1C(C(C)C)=NCc2ccccc2S1(=O)=O- InChIKey
STOPTWNSGNCGTL-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2S
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.17149925
Names & identifiers
- Preferred name
- 1,2,4-Benzothiadiazepine, 2,5-dihydro-2-hexyl-3-isopropyl-, 1,1-dioxide
- IUPAC
- 2-hexyl-3-propan-2-yl-5H-1λ6,2,4-benzothiadiazepine 1,1-dioxide
Names & synonyms
BRN 10169231,2,4-Benzothiadiazepine, 2,5-dihydro-2-hexyl-3-isopropyl-, 1,1-dioxide47190-12-5DTXSID901970592,5-Dihydro-2-hexyl-3-isopropyl-1,2,4-benzothiadiazepine 1,1-dioxideRefChem:214880DTXCID501195502-Hexyl-3-(propan-2-yl)-2,5-dihydro-1H-1lambda~6~,2,4-benzothiadiazepine-1,1-dione
Database identifiers
- CAS
47190-12-5- PubChem CID
- 206271
- DTXSID
DTXSID90197059
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…