기본 정보
- 표준 SMILES
COC=C(C(=O)OC)c1ccccc1COc1cc(C(F)(F)F)nc(OC(C)C)n1- InChIKey
MXWAGQASUDSFBG-UHFFFAOYSA-N- 분자식
- C20H21F3N2O5
- 평균 분자량
- 426.4 g/mol
- 단동위원소 질량
- 426.14025643
이름 및 식별자
- 우선 이름
- Methyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidin-4-yloxymethyl) phenyl]acrylate
- IUPAC
- methyl 3-methoxy-2-[2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate
이름 및 동의어
methyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidin-4-yloxymethyl) phenyl]acrylateFluacyrpyrimSCHEMBL5997532DTXSID50870270DB-046047methyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidin4-yloxymethyl)phenyl]acrylate(|AE)-|A-(Methoxymethylene-2-[[[2-(1-methylethoxy)-6-(trifluoromethyl)-4-pyrimidinyl]oxy]methyl]-benzeneacetic acid methyl esterMethyl (E)-2-{|A-[2-isopropoxy-6-(trifluoromethyl)pyrimidin-4-yloxy]-o-tolyl}-3-methoxyacrylatemethyl 3-methoxy-2-(2-((2-isopropoxy-6-trifluoromethyl pyrimidine-4-yl)oxymethyl)phenyl)acrylatemethyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidin-4-yloxymethyl)phenyl]acrylateMethyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidine-4-yloxymethyl) phenyl]acrylatemethyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidine-4-yloxymethyl)phenyl]acrylate
이름 더 보기
Methyl 3-methoxy-2-{2-[({2-[(propan-2-yl)oxy]-6-(trifluoromethyl)pyrimidin-4-yl}oxy)methyl]phenyl}prop-2-enoate
데이터베이스 식별자
- PubChem CID
- 53395020
- DTXSID
DTXSID50870270
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 79.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 585
관련 반응
10건
화합물 노트
불러오는 중…