Basic information
- CAS
68464-31-3- Standard SMILES
COC(=O)C1CP2(C)(C)N(C)C(=O)N2C1(c1ccccc1)c1ccccc1- InChIKey
STNGTAMSOBPAQR-UHFFFAOYSA-N- Molecular formula
- C21H25N2O3P
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.16027966
Names & identifiers
- Preferred name
- Methyl 5,5,6-trimethyl-7-oxo-2,2-diphenyl-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]heptane-3-carboxylate
- IUPAC
- methyl 5,5,6-trimethyl-7-oxo-2,2-diphenyl-1,6-diaza-5λ5-phosphabicyclo[3.2.0]heptane-3-carboxylate
Names & synonyms
NSC35515768464-31-3Methyl 5,5,6-trimethyl-7-oxo-2,2-diphenyl-1,6-diaza-5lambda~5~-phosphabicyclo[3.2.0]heptane-3-carboxylateDTXSID20320116NSC-355157methyl 5,5,6-trimethyl-7-oxo-2,2-diphenyl-1,6-diaza-5$l^{5}-phosphabicyclo[3.2.0]heptane-3-carboxylate
Database identifiers
- CAS
68464-31-3- PubChem CID
- 337384
- DTXSID
DTXSID20320116
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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