Basic information
- CAS
19158-30-6- Standard SMILES
O=S1(=O)C2CCCCC2(N2CCOCC2)C1c1ccccc1- InChIKey
NMQHAHIFQLFGPR-UHFFFAOYSA-N- Molecular formula
- C17H23NO3S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13986477
Names & identifiers
- Preferred name
- 4-(7,7-Dioxido-8-phenyl-7-thiabicyclo(4.2.0)oct-1-yl)morpholine
- IUPAC
- 1-morpholin-4-yl-8-phenyl-7λ6-thiabicyclo[4.2.0]octane 7,7-dioxide
Names & synonyms
19158-30-64-(7,7-Dioxido-8-phenyl-7-thiabicyclo(4.2.0)oct-1-yl)morpholineNSC162298NSC 1622984-(7,7-Dioxido-8-phenyl-7-thiabicyclo[4.2.0]oct-1-yl)morpholineDTXSID00940795NSC-1622986-morpholino-7-phenyl-8$l^{6}-thiabicyclo[4.2.0]octane 8,8-dioxide1-(Morpholin-4-yl)-8-phenyl-7lambda~6~-thiabicyclo[4.2.0]octane-7,7-dione
Database identifiers
- CAS
19158-30-6- PubChem CID
- 294259
- DTXSID
DTXSID00940795
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…