기본 정보
- 표준 SMILES
Cc1cc(CCOc2ccc(-c3c(C)nc(C)c([C@H](OC(C)(C)C)C(=O)O)c3N3CCC(C)(C)CC3)cc2)ccc1F- InChIKey
SCFOBWTUZWPGJY-YTTGMZPUSA-N- 분자식
- C35H45FN2O4
- 평균 분자량
- 576.7 g/mol
이름 및 식별자
- 우선 이름
- (S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluoro-3-methylphenethoxy)phenyl)-2,6-dimethylpyridin-3-yl)acetic acid
- IUPAC
- (2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluoro-3-methylphenyl)ethoxy]phenyl]-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
이름 및 동의어
CHEMBL5087777SCHEMBL17006851SCFOBWTUZWPGJY-YTTGMZPUSA-N(2S)-2-tert-butoxy-2-[4-(4,4-dimethyl-1-piperidyl)-5-[4-[2-(4-fluoro-3-methyl-phenyl)ethoxy]phenyl]-2,6-dimethyl-3-pyridyl]acetic acid(S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluoro-3-methylphenethoxy)phenyl)-2,6-dimethylpyridin-3-yl)acetic acid
데이터베이스 식별자
- PubChem CID
- 118307828
- ChEMBL
CHEMBL5087777
물성
구조 계산 물성
- XLogP
- 7.9
- 극성 표면적
- 71.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 860
관련 반응
1건
화합물 노트
불러오는 중…