Basic information
- CAS
56302-75-1- Standard SMILES
Cc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(-c2ccc3c(c2)OCO3)n1- InChIKey
DQUDQQLMMCXBPF-UHFFFAOYSA-N- Molecular formula
- C23H22N4O4
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.1641052
Names & identifiers
- Preferred name
- Morpholine, 4-(4-((2-(1,3-benzodioxol-5-yl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-
- IUPAC
- [4-[[2-(1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
Names & synonyms
Morpholine, 4-(4-((2-(1,3-benzodioxol-5-yl)-6-methyl-4-pyrimidinyl)amino)benzoyl)-4-(4-((2-(1,3-Benzodioxol-5-yl)-6-methyl-4-pyrimidinyl)amino)benzoyl)morpholine56302-75-1DTXSID60204845RefChem:357780DTXCID90127336(4-{[2-(2H-1,3-Benzodioxol-5-yl)-6-methylpyrimidin-4-yl]amino}phenyl)(morpholin-4-yl)methanone
Database identifiers
- CAS
56302-75-1- PubChem CID
- 3043889
- DTXSID
DTXSID60204845
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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