1-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-5-one

HCID 89923977
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CCN(c2ncc(Br)c(C(F)(F)F)n2)CCN1
InChIKey
SCSQHIHNGQFDJD-UHFFFAOYSA-N
Molecular formula
C10H10BrF3N4O
Average molar mass
339.11 g/mol

Names & identifiers

Preferred name
1-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-5-one
IUPAC
1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-5-one

Names & synonyms

1-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-5-oneSCHEMBL15415745

Database identifiers

PubChem CID
89923977

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
58.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
19

Related reactions

1 records
New reaction record

Compound notes

Loading…