Basic information
- CAS
507220-04-4- Standard SMILES
Fc1ccc(C(c2ccccc2)N2CCCNCC2)c(F)c1- InChIKey
WSKYMLTZFGKLOP-UHFFFAOYSA-N- Molecular formula
- C18H20F2N2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15945497
Names & identifiers
- Preferred name
- 1-[(2,4-Difluorophenyl)(phenyl)methyl]-1,4-diazepane
- IUPAC
- 1-[(2,4-difluorophenyl)-phenylmethyl]-1,4-diazepane
Names & synonyms
1-[(2,4-difluorophenyl)(phenyl)methyl]-1,4-diazepane507220-04-41-((2,4-Difluorophenyl)(phenyl)methyl)-1,4-diazepaneDTXSID001171713AKOS0051437551H-1,4-Diazepine, 1-[(2,4-difluorophenyl)phenylmethyl]hexahydro-
Database identifiers
- CAS
507220-04-4- PubChem CID
- 5212367
- DTXSID
DTXSID001171713
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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