ZD6021

HCID 9852253

Notes Reactions

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Basic information

Standard SMILES: CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12
InChIKey: SJHZTGDJTIZMSK-KPRDSAADSA-N
Molecular formula: C35H35Cl2N3O2S
Average molar mass: 632.6 g/mol

Overview

structure in first source

Names & identifiers

Preferred name: ZD6021
IUPAC: 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide

Names & synonyms

ZD60213-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamideZD 6021ZD-6021(3-cyano-N-(2-(3,4-dichlorophenyl)-4-(4-(2-(methylsulfinyl)phenyl)piperidino)butyl)-N-methyl)naphthamide3-cyano-N-((2S)-2-(3,4-dichlorophenyl)-4-(4-(2-((S)-methylsulfinyl)phenyl)piperidin-1-yl)butyl)-N-methylnaphthalene-1-carboxamideRefChem:934492CHEMBL129683255049-08-2GTPL2109SCHEMBL7673763SCHEMBL29374317

Show more names

SJHZTGDJTIZMSK-KPRDSAADSA-NBDBM50279775CID 9852253HY-118378Q27089285(S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-dichloro-phenyl)-4-[4-(2-methanesulfinyl-phenyl)-piperidin-1-yl]-butyl}-methyl-amide3-Cyano-naphthalene-1-carboxylic acid ((S)-2-(3,4-dichloro-phenyl)-4-{4-[2-((S)-methanesulfinyl)-phenyl]-piperidin-1-yl}-butyl)-methyl-amideN-[(S)-2-(3,4-Dichlorophenyl)-4-[4-[(S)-2-methylsulfinylphenyl]-1-piperidinyl]butyl]-N-methyl-3-cyano-1-naphthamide

Database identifiers

PubChem CID: 9852253
ChEMBL: CHEMBL129683

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 43
Formal charge: 0
Complexity: 997

Related reactions

1 records

New reaction record

HRID 840408As productuspto-grants-2002_04

Compound notes

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