1,1-dimethylethyl(3S)-3-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinecarboxylate

HCID 59152113

기본 정보

표준 SMILES
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey
HYEXCWNJUAODJU-LBPRGKRZSA-N
분자식
C17H23F3N2O4S
평균 분자량
408.4 g/mol

이름 및 식별자

우선 이름
1,1-dimethylethyl(3S)-3-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinecarboxylate
IUPAC
tert-butyl (3S)-3-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxylate

이름 및 동의어

1,1-dimethylethyl(3S)-3-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinecarboxylateSCHEMBL3097951,1-Dimethylethyl (3S)-3-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinecarboxylate

데이터베이스 식별자

PubChem CID
59152113

물성

구조 계산 물성

XLogP
3
극성 표면적
75.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
27

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