(3,4-Dimethylphenyl)[2-nitro-4-(e-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide

HCID 11611908
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)CC1
InChIKey
KYFCETBYDYTHHV-RMKNXTFCSA-N
Molecular formula
C23H25N3O4S
Average molar mass
439.5 g/mol
Monoisotopic mass
439.15657746

Names & identifiers

Preferred name
(3,4-Dimethylphenyl)[2-nitro-4-(e-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide
IUPAC
(E)-1-(4-acetylpiperazin-1-yl)-3-[4-(3,4-dimethylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one

Names & synonyms

KYFCETBYDYTHHV-RMKNXTFCSA-N(3,4-dimethylphenyl)[2-nitro-4-(e-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide

Database identifiers

PubChem CID
11611908

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
112 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
31

Related reactions

1 records
New reaction record

Compound notes

Loading…