(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

HCID 86670324

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2COS(C)(=O)=O)cc1)C(F)(F)F
InChIKey: XVEDBBXULLXPSC-UHFFFAOYSA-N
분자식: C19H23F3N2O6S3
평균 분자량: 528.6 g/mol

이름 및 식별자

우선 이름: (4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate
IUPAC: [4-thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methyl methanesulfonate

이름 및 동의어

(4-(2-thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonateSCHEMBL17113

데이터베이스 식별자

PubChem CID: 86670324

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 149 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 12
회전 가능 결합 수: 7
무거운 원자 수: 33
형식 전하: 0
복잡도: 882

관련 반응

28건

반응 기록 만들기

HRID 104730 반응식

HRID 104730반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 163408 반응식

HRID 163408반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170304 반응식

HRID 170304반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 197879 반응식

HRID 197879반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 213629 반응식

HRID 213629반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 305379 반응식

HRID 305379반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 308430 반응식

HRID 308430반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 690755 반응식

HRID 690755생성물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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