6-Amino-1-(2,3-difluorobenzyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepan-5-one

HCID 22293249
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Basic information

Standard SMILES
NC1CN(Cc2cccc(F)c2F)CCN(CC(F)(F)F)C1=O
InChIKey
JMGLHFVPJOPXGZ-UHFFFAOYSA-N
Molecular formula
C14H16F5N3O
Average molar mass
337.29 g/mol

Names & identifiers

Preferred name
6-Amino-1-(2,3-difluorobenzyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepan-5-one
IUPAC
6-amino-1-[(2,3-difluorophenyl)methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepan-5-one

Names & synonyms

6-Amino-1-(2,3-difluorobenzyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepan-5-oneSCHEMBL1198171

Database identifiers

PubChem CID
22293249

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
49.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
23

Related reactions

14 records
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Compound notes

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