Basic information
- CAS
56302-88-6- Standard SMILES
COc1cc(-c2nc(C)cc(Nc3ccc(C(N)=O)cc3)n2)cc(OC)c1OC- InChIKey
JKCIEZBEMDSXRD-UHFFFAOYSA-N- Molecular formula
- C21H22N4O4
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.1641052
Names & identifiers
- Preferred name
- Benzamide, 4-((6-methyl-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl)amino)-
- IUPAC
- 4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
Names & synonyms
Benzamide, 4-((6-methyl-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl)amino)-4-((6-Methyl-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl)amino)benzamide56302-88-6DTXSID40204848RefChem:321561DTXCID701273394-{[6-Methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino}benzamide
Database identifiers
- CAS
56302-88-6- PubChem CID
- 3043892
- DTXSID
DTXSID40204848
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…