3,9,15-Trioxa-6,12-dithia-19-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Basic information
- CAS
68436-55-5- Standard SMILES
O=C1OCCSCCOCCSCCOC(=O)c2cncc1c2- InChIKey
SRZZCKXLYWTBCX-UHFFFAOYSA-N- Molecular formula
- C15H19NO5S2
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.07046505
Names & identifiers
- Preferred name
- 3,9,15-Trioxa-6,12-dithia-19-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
- IUPAC
- 3,9,15-trioxa-6,12-dithia-19-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Names & synonyms
NSC2978473,9,15-trioxa-6,12-dithia-19-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione68436-55-5DTXSID20315840NSC-297847
Database identifiers
- CAS
68436-55-5- PubChem CID
- 326426
- DTXSID
DTXSID20315840
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…