기본 정보
- 표준 SMILES
COC(=O)c1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CC2(CC2)O3)cc1F- InChIKey
CSIQFZXLEDQFBQ-UHFFFAOYSA-N- 분자식
- C26H25FO3
- 평균 분자량
- 404.5 g/mol
- 단동위원소 질량
- 404.17877282
이름 및 식별자
- 우선 이름
- 4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester
- IUPAC
- methyl 4-[2-(8-cyclopropyl-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluorobenzoate
이름 및 동의어
SCHEMBL5736364CSIQFZXLEDQFBQ-UHFFFAOYSA-N4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[-2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2 H-1-benzopyran-2, 1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H- 1 -benzopvran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H- 1 -benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2, 1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2.1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 69548418
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 753
관련 반응
80건
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