Basic information
- Standard SMILES
C/C=C(/c1ccc(C)cc1)N(C(=O)N(C)c1cccc(C)n1)c1ccc(OC)cc1- InChIKey
NMBFEMRGJFNTTR-OUBWWKSTSA-N- Molecular formula
- C25H27N3O2
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.21032711
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-3-methyl-1-[(Z)-1-(4-methylphenyl)prop-1-enyl]-3-(6-methyl-2-pyridinyl)urea
- IUPAC
- 1-(4-methoxyphenyl)-3-methyl-1-[(Z)-1-(4-methylphenyl)prop-1-enyl]-3-(6-methyl-2-pyridinyl)urea
Database identifiers
- PubChem CID
- 102493484
- Nikkaji
- J3.190.284C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 577
Related reactions
1 records
Linked notes
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