methyl (3RS,4RS)-4-[3-oxo-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2,5-difluorophenylsulfanyl)ethyl]piperidine-3-acetate

HCID 86589522

기본 정보

표준 SMILES
COC(=O)CC1CN(CCSc2cc(F)ccc2F)CCC1CCC(=O)c1c(F)cnc2ccc(OC)cc12
InChIKey
VCTUAIMEFYYTRI-UHFFFAOYSA-N
분자식
C29H31F3N2O4S
평균 분자량
560.6 g/mol

이름 및 식별자

우선 이름
methyl (3RS,4RS)-4-[3-oxo-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2,5-difluorophenylsulfanyl)ethyl]piperidine-3-acetate
IUPAC
methyl 2-[1-[2-(2,5-difluorophenyl)sulfanylethyl]-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-oxopropyl]piperidin-3-yl]acetate

이름 및 동의어

methyl (3RS,4RS)-4-[3-oxo-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl)-1-[2-(2,5-difluorophenylthio)ethyl]piperidine-3-acetatemethyl (3RS,4RS)-4-[3-oxo-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2,5-difluorophenylthio)ethyl]piperidine-3-acetateVCTUAIMEFYYTRI-UHFFFAOYSA-Nmethyl (3RS,4RS)-4-[3-oxo-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(2,5-difluorophenylsulfanyl)ethyl]piperidine-3-acetate

데이터베이스 식별자

PubChem CID
86589522

물성

구조 계산 물성

XLogP
5.2
극성 표면적
94 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
12
무거운 원자 수
39

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7건

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