Basic information
- Standard SMILES
CN(C)Cc1ccc(SC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)cc1- InChIKey
UPPDFOXQDXMOPL-UHFFFAOYSA-N- Molecular formula
- C21H22N4O2S
- Average molar mass
- 394.5 g/mol
Names & identifiers
- Preferred name
- (3-(4-((Dimethylamino)methyl)phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
- IUPAC
- [3-[4-[(dimethylamino)methyl]phenyl]sulfanylazetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
Names & synonyms
SCHEMBL322389UPPDFOXQDXMOPL-UHFFFAOYSA-N(3-(4-((Dimethylamino)methyl)phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
Database identifiers
- PubChem CID
- 56598532
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 515
Related reactions
2 records
Compound notes
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