Basic information
- Standard SMILES
c1ccc(C(NC23CC4CC(C2)CC(OCc2ccc(-c5nc6ccccc6o5)cc2)(C4)C3)(c2ccccc2)c2ccccc2)cc1- InChIKey
CNNOKCKRTJJSHZ-UHFFFAOYSA-N- Molecular formula
- C43H40N2O2
- Average molar mass
- 616.8 g/mol
Names & identifiers
- Preferred name
- N-trityl-3-[4-(benzoxazol-2-yl)benzyloxy]tricyclo[3.3.1.13,7]decan-1-amine
- IUPAC
- 3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-N-trityladamantan-1-amine
Names & synonyms
SCHEMBL9222649CNNOKCKRTJJSHZ-UHFFFAOYSA-NN-trityl-3-[4-(benzoxazol-2-yl)benzyloxy]tricyclo[3.3.1.13,7 ]decan-1-amine
Database identifiers
- PubChem CID
- 53730484
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 975
Related reactions
3 records
Compound notes
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