1-[2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-3-yl)-piperidine-4-carboxylic acid amide

HCID 44319307

기본 정보

표준 SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
InChIKey
HYKVHMXJPZXOSZ-UHFFFAOYSA-N
분자식
C33H38Cl2N4O5
평균 분자량
641.6 g/mol

이름 및 식별자

우선 이름
1-[2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-3-yl)-piperidine-4-carboxylic acid amide
IUPAC
1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide

이름 및 동의어

CHEMBL314119SCHEMBL8355664HYKVHMXJPZXOSZ-UHFFFAOYSA-NBDBM502902951''-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2'',3'',5'',6''-tetrahydro-1''H-[3,4'']bipyridinyl-4''-carboxylic acid amide1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-3-yl)-piperidine-4-carboxylic acid amide

데이터베이스 식별자

PubChem CID
44319307
ChEMBL
CHEMBL314119

물성

구조 계산 물성

XLogP
4.6
극성 표면적
107 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
10
무거운 원자 수
44

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