4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
Basic information
- CAS
396105-45-6- Standard SMILES
O=C(Nc1ccc(F)cc1F)N1CCCN(Cc2ccccc2)CC1- InChIKey
ZQMOCCNICWGCHS-UHFFFAOYSA-N- Molecular formula
- C19H21F2N3O
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.16526863
Names & identifiers
- Preferred name
- 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
- IUPAC
- 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
Names & synonyms
CHEMBL5174034Peakdale1_000807HMS520E154-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamideDTXSID501135697BDBM50600470N-(2,4-Difluorophenyl)hexahydro-4-(phenylmethyl)-1H-1,4-diazepine-1-carboxamide396105-45-6
Database identifiers
- CAS
396105-45-6- PubChem CID
- 4644142
- DTXSID
DTXSID501135697- ChEMBL
CHEMBL5174034
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…