기본 정보
- CAS
1369769-35-6- 표준 SMILES
Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)O)c(C)n1- InChIKey
BGJNDDDAGGGZMW-WMLDXEAASA-N- 분자식
- C17H17FN2O3
- 평균 분자량
- 316.33 g/mol
- 단동위원소 질량
- 316.12232057
이름 및 식별자
- 우선 이름
- (1R,2S)-2-(((2,4-Dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluorophenyl)cyclopropanecarboxylic acid
- IUPAC
- cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
- 영어명
- (1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluorophenyl)cyclopropanecarboxylic acid
- 분자식
- C17H17FN2O3
- 분자량
- 316.33
이름 및 동의어
1369769-35-6(1R,2S)-2-(((2,4-Dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluorophenyl)cyclopropanecarboxylic acid(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluorophenyl)cyclopropane-carboxylic acid(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid(1R,2S)-2-{[(2,4-dimethylpyrimidin-5-yl)oxy]methyl}-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid(1R,2S)-2-{[(2,4-dimethylpyrimidin-5-yl)oxy]methyl}-2-(3-fluorophenyl)cyclopropanecarboxylic acidLemborexant impurity 02SCHEMBL2116763SCHEMBL29521524BGJNDDDAGGGZMW-WMLDXEAASA-N(1R,2S)-2-(((2,4-Dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluorophenyl)cyclopropanecarboxylicacid
이름 더 보기
Lemborexant Impurity 21RMA-858(1R,2S)-2-[[(2,4-Dimethyl-5-pyrimidinyl)oxy]methyl]-2-(3-fluorophenyl)cyclopropanecarboxylic acidcyclopropanecarboxylic acid,2-((2,4-dimethyl-5-pyrimidinyl)oxy)methyl)-2-(3-fluorophenyl)-(1R,2S)-(1R,2S)-2-[[(2,4-Dimethyl-5-pyrimidin(1R,2S)-2-[[(2,4-Dimethyl-5-pyrimidinyl)oxy]methyl]-2-(3-fluorophenyl)cyclopropanecarboxylic acidyl)oxy]methyl]-2-(3-fluorophenyl)cyclopropanecarboxylic acid
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
데이터베이스 식별자
- CAS
1369769-35-6- PubChem CID
- 67282079
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 72.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 450
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