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5-Chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-1-yl)-1-(1-ethylpropyl)-6-methyl-2(1H)-pyrazinone

HCID 10272053
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(CC)n1c(C)c(Cl)nc(N2CCc3cc(OC)cc(Cl)c32)c1=O
InChIKey
MRVRNOSTAUQQKB-UHFFFAOYSA-N
Molecular formula
C19H23Cl2N3O2
Average molar mass
396.3 g/mol
Monoisotopic mass
395.1167324

Names & identifiers

Preferred name
5-Chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-1-yl)-1-(1-ethylpropyl)-6-methyl-2(1H)-pyrazinone
IUPAC
5-chloro-3-(7-chloro-5-methoxy-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-ylpyrazin-2-one

Names & synonyms

SCHEMBL4864500MRVRNOSTAUQQKB-UHFFFAOYSA-N5-Chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-1-yl)-1-(1-ethylpropyl)-6-methyl-2(1H)-pyrazinone

Database identifiers

PubChem CID
10272053

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
45.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
618

Related reactions

3 records
New reaction record
HRID 1271177 reaction equation
HRID 1271177As productuspto-grants-2007_04
HRID 2124213 reaction equation
HRID 2124213As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2251042 reaction equation
HRID 2251042As productuspto-grants-2008_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes