Basic information
- Standard SMILES
C=C(C)C(=O)c1cccc(Nc2cc(Nc3ccc(Oc4ccccc4)cc3)ncn2)c1- InChIKey
DVLDHCKDNMHWQB-UHFFFAOYSA-N- Molecular formula
- C26H22N4O2
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-1-(3-(6-(4-phenoxyphenylamino)pyrimidin-4-ylamino)phenyl)prop-2-en-1-one
- IUPAC
- 2-methyl-1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-en-1-one
Names & synonyms
SCHEMBL691651DVLDHCKDNMHWQB-UHFFFAOYSA-N2-methyl-1-(3-(6-(4-phenoxyphenylamino)pyrimidin-4-ylamino)phenyl)prop-2-en-1-one
Database identifiers
- PubChem CID
- 42601736
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 613
Related reactions
7 records
Compound notes
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