Basic information
- CAS
28443-85-8- Standard SMILES
COC(=O)C1=CC2C(=NC3CCCCC3)c3ccccc3C1(c1ccccc1)N2C1CCCCC1- InChIKey
MXAASLFAJATKOX-UHFFFAOYSA-N- Molecular formula
- C31H36N2O2
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.2776784
Names & identifiers
- Preferred name
- Methyl 12-cyclohexyl-8-cyclohexylimino-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate
- IUPAC
- methyl 12-cyclohexyl-8-cyclohexylimino-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate
Names & synonyms
NSC16729428443-85-8DTXSID30329872NSC-167294Methyl (9E)-10-cyclohexyl-9-(cyclohexylimino)-5-phenyl-8,9-dihydro-5H-5,8-epiminobenzo[7]annulene-6-carboxylate
Database identifiers
- CAS
28443-85-8- PubChem CID
- 424657
- DTXSID
DTXSID30329872
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 831
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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