Basic information
- CAS
107201-38-7- Standard SMILES
C=CCOC(=O)N(C)CC(OC(=O)C(C)(C)C)C1(c2ccc3c(c2)OCO3)C=CC(=O)C=C1- InChIKey
YDFGAMNHHPZVTB-UHFFFAOYSA-N- Molecular formula
- C25H29NO7
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.19440226
Names & identifiers
- Preferred name
- 2-(((Allyloxy)carbonyl)(methyl)amino)-1-(1-(1,3-benzodioxol-5-yl)-4-oxo-2,5-cyclohexadien-1-yl)ethyl pivalate
- IUPAC
- [1-[1-(1,3-benzodioxol-5-yl)-4-oxocyclohexa-2,5-dien-1-yl]-2-[methyl(prop-2-enoxycarbonyl)amino]ethyl] 2,2-dimethylpropanoate
Names & synonyms
NSC619795DTXSID401102916NSC-619795107201-38-72-(((Allyloxy)carbonyl)(methyl)amino)-1-(1-(1,3-benzodioxol-5-yl)-4-oxo-2,5-cyclohexadien-1-yl)ethyl pivalate[2-[allyloxycarbonyl(methyl)amino]-1-[1-(1,3-benzodioxol-5-yl)-4-oxo-cyclohexa-2,5-dien-1-yl]ethyl] 2,2-dimethylpropanoate1-[1-(1,3-Benzodioxol-5-yl)-4-oxo-2,5-cyclohexadien-1-yl]-2-[methyl[(2-propen-1-yloxy)carbonyl]amino]ethyl 2,2-dimethylpropanoate
Database identifiers
- CAS
107201-38-7- PubChem CID
- 359141
- DTXSID
DTXSID401102916
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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