Benzyl 3-[7-bromo-1-(3-methoxypropyl)-3-methyl-1H-indol-6-yl methoxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

HCID 68501531

기본 정보

표준 SMILES
COCCCn1cc(C)c2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCCOCc4ccccc4OC)cc3)c(Br)c21
InChIKey
YRZIGDWUFFOCKZ-UHFFFAOYSA-N
분자식
C44H51BrN2O7
평균 분자량
799.8 g/mol
단동위원소 질량
798.28796

이름 및 식별자

우선 이름
Benzyl 3-[7-bromo-1-(3-methoxypropyl)-3-methyl-1H-indol-6-yl methoxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
IUPAC
benzyl 3-[[7-bromo-1-(3-methoxypropyl)-3-methylindol-6-yl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

이름 및 동의어

SCHEMBL3072761YRZIGDWUFFOCKZ-UHFFFAOYSA-NBenzyl 3-[7-bromo-1-(3-methoxypropyl)-3-methyl-1H-indol-6-yl methoxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylatebenzyl 3-[7-bromo-1-(3-methoxypropyl)-3-methyl-1H-indol-6-ylmethoxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

데이터베이스 식별자

PubChem CID
68501531

물성

구조 계산 물성

XLogP
7.8
극성 표면적
80.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
19
무거운 원자 수
54

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5건

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