2-(4-Chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinane
Basic information
- CAS
7147-22-0- Standard SMILES
Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c2ccc(Cl)cc2)cc1- InChIKey
JCLDEVAKUVEOBX-UHFFFAOYSA-N- Molecular formula
- C24H23Cl3N2
- Average molar mass
- 445.8 g/mol
- Monoisotopic mass
- 444.092682
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinane
- IUPAC
- 2-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinane
Names & synonyms
7147-22-0NSC624172-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinaneDTXSID50328867NSC-62417
Database identifiers
- CAS
7147-22-0- PubChem CID
- 414669
- DTXSID
DTXSID50328867
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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