4,7,7-trimethyl-3-oxo-N'-phenyl-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Basic information
- CAS
613658-76-7- Standard SMILES
CC12CCC(C(=O)NNc3ccccc3)(OC1=O)C2(C)C- InChIKey
HBUHISLAFDATEA-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- 4,7,7-trimethyl-3-oxo-N'-phenyl-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
- IUPAC
- 4,7,7-trimethyl-3-oxo-N'-phenyl-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Names & synonyms
4,7,7-trimethyl-3-oxo-N'-phenyl-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide613658-76-7MLS000665290CHEMBL1558282DTXSID201331082HMS2775K12STK852713AKOS002230637AKOS016054949SMR000296548ST50114564SR-01000297948
Show more names
SR-01000297948-1N-(phenylamino)(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carboxamide(1S,4S)-4,7,7-TRIMETHYL-3-OXO-N'-PHENYL-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOHYDRAZIDE
Database identifiers
- CAS
613658-76-7- PubChem CID
- 2978697
- DTXSID
DTXSID201331082- ChEMBL
CHEMBL1558282
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 470
Experimental & physicochemical properties
Solubility19.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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