2-[4-(4-Bromo-phenyl)piperazine-1-sulfonylmethyl]3-methylbutyric acid tert-butyl ester

HCID 69895250

기본 정보

표준 SMILES
CC(C)C(CS(=O)(=O)N1CCN(c2ccc(Br)cc2)CC1)C(=O)OC(C)(C)C
InChIKey
ZICOFHWFEGTOAF-UHFFFAOYSA-N
분자식
C20H31BrN2O4S
평균 분자량
475.4 g/mol
단동위원소 질량
474.11879

이름 및 식별자

우선 이름
2-[4-(4-Bromo-phenyl)piperazine-1-sulfonylmethyl]3-methylbutyric acid tert-butyl ester
IUPAC
tert-butyl 2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]-3-methylbutanoate

이름 및 동의어

SCHEMBL6787059ZICOFHWFEGTOAF-UHFFFAOYSA-N2-[4-(4-bromo-phenyl)piperazine-1-sulfonylmethyl]-3-methylbutyric acid tert-butyl ester2-[4-(4-bromo-phenyl)piperazine-1-sulfonylmethyl]3-methylbutyric acid tert-butyl ester2-[4-(4-bromophenyl)-piperazine-1-sulfonylmethyl]-3-methyl-butyric acid tert-butyl ester2-[4-(4-bromophenyl)piperazine-1-sulfonylmethyl]-3-methyl-butyric acid ter-butyl ester2-[4-(4-Bromophenyl)piperazine-1-sulfonylmethyl]-3-methyl-butyric acid tert-butyl ester2-[4-(4-Bromophenyl)piperazine-1-sulfonylmethyl]-3-methylbutyric acid tert-butyl ester

데이터베이스 식별자

PubChem CID
69895250

물성

구조 계산 물성

XLogP
4
극성 표면적
75.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
28

관련 반응

16건

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