Ethyl 2-(trans-4-((ethyl(2-(((5-(2-(methylthio)ethoxy)pyrimidin-2-yl)amino)methyl)-4-(trifluoromethyl)phenyl)amino)methyl)cyclohexyl)acetate
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기본 정보
- 표준 SMILES
CCOC(=O)CC1CCC(CN(CC)c2ccc(C(F)(F)F)cc2CNc2ncc(OCCSC)cn2)CC1- InChIKey
XURNBQLPIJENNW-UHFFFAOYSA-N- 분자식
- C28H39F3N4O3S
- 평균 분자량
- 568.7 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-(trans-4-((ethyl(2-(((5-(2-(methylthio)ethoxy)pyrimidin-2-yl)amino)methyl)-4-(trifluoromethyl)phenyl)amino)methyl)cyclohexyl)acetate
- IUPAC
- ethyl 2-[4-[[N-ethyl-2-[[[5-(2-methylsulfanylethoxy)pyrimidin-2-yl]amino]methyl]-4-(trifluoromethyl)anilino]methyl]cyclohexyl]acetate
이름 및 동의어
1072907-44-8Ethyl 2-(trans-4-((ethyl(2-(((5-(2-(methylthio)ethoxy)pyrimidin-2-yl)amino)methyl)-4-(trifluoromethyl)phenyl)amino)methyl)cyclohexyl)acetateCyclohexaneacetic acid,4-[[ethyl[2-[[[5-[2-(methylthio)ethoxy]-2-pyrimidinyl]amino]methyl]-4-(trifluoromethyl)phenyl]amino]methyl]-,ethyl ester,trans-SCHEMBL3036103SCHEMBL3036105XURNBQLPIJENNW-UHFFFAOYSA-NAKOS030524618ethyl trans-{4-[({2-[({5-[2-(methylthio)ethoxy]pyrimidin-2-yl}amino)methyl]-4-(trifluoromethyl)phenyl}(ethyl)amino)methyl]cyclohexyl}acetateEthyl2-(trans-4-((ethyl(2-(((5-(2-(methylthio)ethoxy)pyrimidin-2-yl)amino)methyl)-4-(trifluoromethyl)phenyl)amino)methyl)cyclohexyl)acetate
데이터베이스 식별자
- PubChem CID
- 68488093
물성
구조 계산 물성보충 중
- XLogP
- 6.3
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 704
관련 반응
1건
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