(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzyl]-1,3-oxazolidin-2-one

HCID 57704783

기본 정보

표준 SMILES
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1
InChIKey
KCFASYVWGBLSMC-RBZFPXEDSA-N
분자식
C26H25BF9NO4
평균 분자량
597.3 g/mol
단동위원소 질량
597.1732919

이름 및 식별자

우선 이름
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzyl]-1,3-oxazolidin-2-one
IUPAC
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

이름 및 동의어

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzyl]-1,3-oxazolidin-2-oneSCHEMBL531279

데이터베이스 식별자

PubChem CID
57704783

물성

구조 계산 물성

극성 표면적
48 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
13
회전 가능 결합 수
4
무거운 원자 수
41

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7건

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