3,5-Dichloro-3-(2,4-dimethoxypyrimidin-5-yl)-1,3-dihydroindol-2-one

HCID 57517754

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ncc(C2(Cl)C(=O)Nc3ccc(Cl)cc32)c(OC)n1
InChIKey: ZSRYYMIGVUIKQU-UHFFFAOYSA-N
Molecular formula: C14H11Cl2N3O3
Average molar mass: 340.2 g/mol

Names & identifiers

Preferred name: 3,5-Dichloro-3-(2,4-dimethoxypyrimidin-5-yl)-1,3-dihydroindol-2-one
IUPAC: 3,5-dichloro-3-(2,4-dimethoxypyrimidin-5-yl)-1H-indol-2-one

Names & synonyms

SCHEMBL1465095ZSRYYMIGVUIKQU-UHFFFAOYSA-N3,5-Dichloro-3-(2,4-dimethoxy-pyrimidin-5-yl)-1,3-dihydroindol-2-one3,5-Dichloro-3-(2,4-dimethoxypyrimidin-5-yl)-1,3-dihydroindol-2-one

Database identifiers

PubChem CID: 57517754

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 73.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 442

Related reactions

6 records

New reaction record

HRID 115175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 294385As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 601760As productuspto-grants-2011_03

HRID 601761As reactantuspto-grants-2011_03

HRID 2040423As productuspto-grants-2013_11

HRID 2040424As reactantuspto-grants-2013_11

Compound notes

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