Basic information
- Standard SMILES
Cc1noc(-c2cccc(NC(=O)NC3c4cc(C#N)ccc4OC(C)(C)C3O)c2)n1- InChIKey
UQMGSERZXMYFIZ-UHFFFAOYSA-N- Molecular formula
- C22H21N5O4
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.15935417
Names & identifiers
- Preferred name
- 1-(6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
- IUPAC
- 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
Names & synonyms
SCHEMBL9315431
Database identifiers
- PubChem CID
- 18950779
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 709
Related reactions
1 records
Compound notes
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