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Basic information
- Standard SMILES
CN(C)CCNC(=O)Nc1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1- InChIKey
ZQFGMBMVBAUANY-UHFFFAOYSA-N- Molecular formula
- C22H27N5O3S
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.18346091
Names & identifiers
- Preferred name
- 1-[2-(Dimethylamino)ethyl]-3-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]urea
- IUPAC
- 1-[2-(dimethylamino)ethyl]-3-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]urea
Names & synonyms
SCHEMBL5636789
Database identifiers
- PubChem CID
- 10072009
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 513
Related reactions
1 records
Compound notes
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