4,5-Dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine 10,10-dioxide
Basic information
- CAS
54254-39-6- Standard SMILES
O=S1(=O)c2ccccc2NCc2cccn21- InChIKey
DTYSMFVNISHIOS-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- 4,5-Dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine 10,10-dioxide
- IUPAC
- 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine 10,10-dioxide
Names & synonyms
4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine 10,10-dioxideDTXSID40115834554254-39-69H,10H-Benzo[f]pyrrolo[1,2-b]1,2,5-thiadiazepine-4,4-dionePyrrolo[1,2-b][1,2,5]benzothiadiazepine, 10,11-dihydro-, 5,5-dioxide10,11-Dihydro-5H-5lambda~6~-pyrrolo[1,2-b][1,2,5]benzothiadiazepine-5,5-dione
Database identifiers
- CAS
54254-39-6- PubChem CID
- 468282
- DTXSID
DTXSID401158345
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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