Basic information
- CAS
56302-91-1- Standard SMILES
COc1cc(-c2nc(C)cc(Nc3ccccc3C(=O)OCC3COC(C)(C)O3)n2)cc(OC)c1OC- InChIKey
FZWWRLAUANJNMT-UHFFFAOYSA-N- Molecular formula
- C27H31N3O7
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 509.21620034
Names & identifiers
- Preferred name
- Benzoic acid, 2-((6-methyl-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl)amino)-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
- IUPAC
- (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzoate
Names & synonyms
BRN 073203656302-91-1Benzoic acid, 2-((6-methyl-2-(3,4,5-trimethoxyphenyl)-4-pyrimidinyl)amino)-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl esterRefChem:326672DTXSID20971743(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 2-{[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4(3H)-ylidene]amino}benzoate
Database identifiers
- CAS
56302-91-1- PubChem CID
- 3043893
- DTXSID
DTXSID20971743
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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