Basic information
- CAS
56302-77-3- Standard SMILES
Cc1cc(Nc2ccccc2C(N)=O)nc(-c2ccc3c(c2)OCO3)n1- InChIKey
YYNWXEWGZXCIPX-UHFFFAOYSA-N- Molecular formula
- C19H16N4O3
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.12224039
Names & identifiers
- Preferred name
- Benzamide, 2-((2-(1,3-benzodioxol-5-yl)-6-methyl-4-pyrimidinyl)amino)-
- IUPAC
- 2-[[2-(1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-yl]amino]benzamide
Names & synonyms
Benzamide, 2-((2-(1,3-benzodioxol-5-yl)-6-methyl-4-pyrimidinyl)amino)-2-((2-(1,3-Benzodioxol-5-yl)-6-methyl-4-pyrimidinyl)amino)benzamide56302-77-3DTXSID20204846RefChem:321280DTXCID501273372-{[2-(2H-1,3-Benzodioxol-5-yl)-6-methylpyrimidin-4-yl]amino}benzamide
Database identifiers
- CAS
56302-77-3- PubChem CID
- 3043890
- DTXSID
DTXSID20204846
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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