기본 정보
- CAS
313379-15-6- 표준 SMILES
COc1ccc(CCN/C(=N/c2cccc(C(F)(F)F)c2)SC2CC(=O)N(c3ccccc3)C2=O)cc1OC- InChIKey
VEVCYRICYIRONL-UHFFFAOYSA-N- 분자식
- C28H26F3N3O4S
- 평균 분자량
- 557.6 g/mol
이름 및 식별자
- 우선 이름
- (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
- IUPAC
- (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
- 영어명
- 2,5-dioxo-1-phenyl-3-pyrrolidinyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]imidothiocarbamate
- 분자식
- C28H26F3N3O4S
- 분자량
- 557.5839496
이름 및 동의어
(E)-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1-[(2,5-DIOXO-1-PHENYLPYRROLIDIN-3-YL)SULFANYL]-N'-[3-(TRIFLUOROMETHYL)PHENYL]METHANIMIDAMIDEMFCD01907597STK675766AKOS001727333AKOS005593923AKOS022015767(2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]carbamimidothioateAG-205/130510212,5-dioxo-1-phenyl-3-pyrrolidinyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]imidothiocarbamate2,5-dioxo-1-phenylpyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate3-[([(3,4-dimethoxyphenethyl)amino]{[3-(trifluoromethyl)phenyl]imino}methyl)sulfanyl]-2,5-dioxo-1-phenylpyrrolidine
데이터베이스 식별자
- CAS
313379-15-6
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 867
화학 및 산업
공급사1 곳
SPECS[email protected]
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