Basic information
- CAS
6960-14-1- Standard SMILES
Oc1ccccc1C1N(Cc2ccc(Cl)c(Cl)c2)CCCN1Cc1ccc(Cl)c(Cl)c1- InChIKey
SLTPGZJGQABAIE-UHFFFAOYSA-N- Molecular formula
- C24H22Cl4N2O
- Average molar mass
- 496.2 g/mol
- Monoisotopic mass
- 494.048624
Names & identifiers
- Preferred name
- 2-{1,3-Bis[(3,4-dichlorophenyl)methyl]hexahydropyrimidin-2-yl}phenol
- IUPAC
- 2-[1,3-bis[(3,4-dichlorophenyl)methyl]-1,3-diazinan-2-yl]phenol
Names & synonyms
6960-14-1NSC69788DTXSID003289332-{1,3-Bis[(3,4-dichlorophenyl)methyl]hexahydropyrimidin-2-yl}phenolNSC-697882-{1,3-Bis[(3,4-dichlorophenyl)methyl]-1,3-diazinan-2-yl}phenol
Database identifiers
- CAS
6960-14-1- PubChem CID
- 415411
- DTXSID
DTXSID00328933
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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