Basic information
- CAS
2164-70-7- Standard SMILES
N#CC(c1ccccc1)N1CCCN(C(C#N)c2ccccc2)C1c1ccccc1O- InChIKey
URGZWCGWLFKZMA-UHFFFAOYSA-N- Molecular formula
- C26H24N4O
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.1950114
Names & identifiers
- Preferred name
- 2-[3-(Cyano-phenyl-methyl)-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-acetonitrile
- IUPAC
- 2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
Names & synonyms
NSC815402164-70-7NSC-81540CHEMBL1998076DTXSID203290232-[3-(cyano-phenyl-methyl)-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-acetonitrile2,2'-[2-(2-Hydroxyphenyl)-1,3-diazinane-1,3-diyl]bis(phenylacetonitrile)
Database identifiers
- CAS
2164-70-7- PubChem CID
- 416751
- DTXSID
DTXSID20329023- ChEMBL
CHEMBL1998076
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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