4-(3-Hydroxy-2-methoxycarbonyl-7-trifluoromethyl-2,3-dihydro-benzo[b]thiophen-3-yl)-piperidine-1-carboxylic acid tert-butyl ester

HCID 68455372

기본 정보

표준 SMILES
COC(=O)C1Sc2c(C(F)(F)F)cccc2C1(O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
GNLAWAVJZKDWGK-UHFFFAOYSA-N
분자식
C21H26F3NO5S
평균 분자량
461.5 g/mol
단동위원소 질량
461.14837859

이름 및 식별자

우선 이름
4-(3-Hydroxy-2-methoxycarbonyl-7-trifluoromethyl-2,3-dihydro-benzo[b]thiophen-3-yl)-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[3-hydroxy-2-methoxycarbonyl-7-(trifluoromethyl)-2H-1-benzothiophen-3-yl]piperidine-1-carboxylate

이름 및 동의어

4-(3-Hydroxy-2-methoxycarbonyl-7-trifluoromethyl-2,3-dihydro-benzo[b]thiophen-3-yl)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL29535494-(3-Hydroxy-2-methoxycarbonyl-7-trifluoromethyl-2,3-dihydro-benzo[b]thiophen-3- yl)-piperidine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
68455372

물성

구조 계산 물성

XLogP
4.2
극성 표면적
101 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
5
무거운 원자 수
31

관련 반응

8건

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