Tert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-[2-(toluene-4-sulphonyloxy)ethoxy]piperidine-1-carboxylate

HCID 86609984

기본 정보

표준 SMILES
COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
HGNRSRSGVCMJCK-UHFFFAOYSA-N
분자식
C36H47NO9S
평균 분자량
669.8 g/mol

이름 및 식별자

우선 이름
Tert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-[2-(toluene-4-sulphonyloxy)ethoxy]piperidine-1-carboxylate
IUPAC
tert-butyl 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-[2-(4-methylphenyl)sulfonyloxyethoxy]piperidine-1-carboxylate

이름 및 동의어

tert-butyl 4-{4-[3-(2-methoxybenyloxy)propoxy)phenyl}-3-[2-(toluene-4-sulphonyloxy)ethoxy]piperidine-1-carboxylatetert-butyl 4-{4-[3-(2-methoxybenyloxy)propoxy]phenyl}-3-[2-(toluene-4-sulphonyloxy)ethoxy]piperidine-1-carboxylateSCHEMBL3073211HGNRSRSGVCMJCK-UHFFFAOYSA-Ntert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-[2-(toluene-4-sulphonyloxy)ethoxy]piperidine-1-carboxylate

데이터베이스 식별자

PubChem CID
86609984

물성

구조 계산 물성

XLogP
5.9
극성 표면적
118 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
17
무거운 원자 수
47

관련 반응

63건

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