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

HCID 76598402

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1C(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-UHFFFAOYSA-N
분자식: C26H25BF9NO4
평균 분자량: 597.3 g/mol

이름 및 식별자

우선 이름: 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
IUPAC: 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

SCHEMBL2216757

데이터베이스 식별자

PubChem CID: 76598402

물성

구조 계산 물성

극성 표면적: 48 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 13
회전 가능 결합 수: 4
무거운 원자 수: 41
형식 전하: 0
복잡도: 932

관련 반응

8건

반응 기록 만들기

HRID 89859 반응식

HRID 89859반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96385 반응식

HRID 96385반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 136205 반응식

HRID 136205반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 312392 반응식

HRID 312392반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 958559 반응식

HRID 958559반응물로Validation data from https://doi.org/10.1039/C8SC04228D

HRID 1116235 반응식

HRID 1116235반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2138635 반응식

HRID 2138635반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2147369 반응식

HRID 2147369반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

불러오는 중…