4-(3-Fluoro-5-((4-(2-methyl-1H-imidazol-1-YL)benzyl)oxy)phenyl)tetrahydro-2H-pyran-4-carboxylic acid
기본 정보
- 표준 SMILES
Cc1nccn1-c1ccc(COc2cc(F)cc(C3(C(=O)O)CCOCC3)c2)cc1- InChIKey
VQTVCQKDMCRNES-UHFFFAOYSA-N- 분자식
- C23H23FN2O4
- 평균 분자량
- 410.4 g/mol
이름 및 식별자
- 우선 이름
- 4-(3-Fluoro-5-((4-(2-methyl-1H-imidazol-1-YL)benzyl)oxy)phenyl)tetrahydro-2H-pyran-4-carboxylic acid
- IUPAC
- 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxane-4-carboxylic acid
이름 및 동의어
CHEMBL3510684-(3-FLUORO-5-((4-(2-METHYL-1H-IMIDAZOL-1-YL)BENZYL)OXY)PHENYL)TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACIDSCHEMBL7807535VQTVCQKDMCRNES-UHFFFAOYSA-NBDBM501389954-(3-FLUORO-5-((4-(2-METHYL-1H-IMIDAZOL-1-YL)BENZYL)OXY)PHENYL)TETRAHYDRO-2H-PYRAN-4-CARBOXYLICACID4-[5-Fluoro-3-[4-(2-methylimidazol-1-yl)benzyloxy]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid4-{3-Fluoro-5-[4-(2-methyl-imidazol-1-yl)-benzyloxy]-phenyl}-tetrahydro-pyran-4-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 11315837
- ChEMBL
CHEMBL351068
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 73.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 578
관련 반응
6건
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