기본 정보
- 표준 SMILES
CCOC(=O)CCCN[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1.Cl- InChIKey
LOKZMPQOSRVHKY-YCBFMBTMSA-N- 분자식
- C34H35ClF5N3O5
- 평균 분자량
- 696.1 g/mol
이름 및 식별자
- 우선 이름
- Ethyl (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate hydrochloride
- IUPAC
- ethyl 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate;hydrochloride
이름 및 동의어
1150560-46-5Ethyl (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoate hydrochlorideSCHEMBL1643496SCHEMBL29960614LOKZMPQOSRVHKY-YCBFMBTMSA-N4-((R)-2-[5-(2-Fluoro-3-methoxy-phenyl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethylamino)-butyric acid ethyl ester HCl salt
데이터베이스 식별자
- PubChem CID
- 87270797
물성
구조 계산 물성
- 극성 표면적
- 88.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,110
관련 반응
2건
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