2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-, (4S,5R)-

HCID 76024859

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)ccc1I
InChIKey: LMILMSJBMSEFIG-UHFFFAOYSA-N
분자식: C20H13F9INO2
평균 분자량: 597.2 g/mol

이름 및 식별자

우선 이름: 2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-, (4S,5R)-
IUPAC: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

이름 및 동의어

875446-35-82-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-, (4S,5R)-SCHEMBL14874761

데이터베이스 식별자

PubChem CID: 76024859

물성

구조 계산 물성

XLogP: 6.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 11
회전 가능 결합 수: 3
무거운 원자 수: 33
형식 전하: 0
복잡도: 689

관련 반응

12건

반응 기록 만들기

HRID 116351 반응식

HRID 116351반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 122164 반응식

HRID 122164반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137693 반응식

HRID 137693생성물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 804006 반응식

HRID 804006반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 827444 반응식

HRID 827444반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 829921 반응식

HRID 829921반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 948048 반응식

HRID 948048반응물로Validation data from https://doi.org/10.1039/C8SC04228D

HRID 1131296 반응식

HRID 1131296생성물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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