Basic information
- CAS
56302-48-8- Standard SMILES
Cc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(-c2ccc(Cl)cc2)n1- InChIKey
OESUWJTZXHRJII-UHFFFAOYSA-N- Molecular formula
- C22H21ClN4O2
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.1353036
Names & identifiers
- Preferred name
- Morpholine, 4-(4-((2-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-
- IUPAC
- [4-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
Names & synonyms
Morpholine, 4-(4-((2-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-4-(4-((2-(4-Chlorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoyl)morpholine56302-48-8DTXSID20204841RefChem:357782DTXCID50127332(4-{[2-(4-Chlorophenyl)-6-methylpyrimidin-4-yl]amino}phenyl)(morpholin-4-yl)methanone
Database identifiers
- CAS
56302-48-8- PubChem CID
- 3043885
- DTXSID
DTXSID20204841
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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