3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
Basic information
- CAS
70705-09-8- Standard SMILES
COc1cc(-c2nn(CN3CCOCC3)c(=S)o2)cc(OC)c1OC- InChIKey
ZBXSOKMUKYNTMP-UHFFFAOYSA-N- Molecular formula
- C16H21N3O5S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.12019195
Names & identifiers
- Preferred name
- 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
- IUPAC
- 3-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
Names & synonyms
70705-09-8NSC3372463-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thioneDTXSID00318834AKOS034337047NSC-337246DS-004614T6360733Z441019533-[(Morpholin-4-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
70705-09-8- PubChem CID
- 333698
- DTXSID
DTXSID00318834
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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