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

HCID 44384987

기본 정보

표준 SMILES
COc1cc(OC)cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1
InChIKey
ZKGRNGWUBQYAGP-UHFFFAOYSA-N
분자식
C33H37Cl2N3O4
평균 분자량
610.6 g/mol
단동위원소 질량
609.2161121

이름 및 식별자

우선 이름
1-[2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide
IUPAC
1-[2-[3-(3,4-dichlorophenyl)-1-(3,5-dimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide

이름 및 동의어

CHEMBL1767691-[2-[3-(3,4-dichloro-phenyl)-1-(3,5-dimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amideSCHEMBL8351117ZKGRNGWUBQYAGP-UHFFFAOYSA-NBDBM50289192

데이터베이스 식별자

PubChem CID
44384987
ChEMBL
CHEMBL176769

물성

구조 계산 물성

XLogP
5.7
극성 표면적
85.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
42

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