基本情報
- CAS
334992-01-7- 標準SMILES
CCCC1=C(C(C)C)NC(C(C)C)=C(C(C)O)C1c1ccc(F)cc1O- InChIKey
OINVVPOIGFSNHM-UHFFFAOYSA-N- 分子式
- C22H32FNO2
- 平均分子量
- 361.5 g/mol
- 単同位体質量
- 361.24170743
名称と識別子
- 優先名称
- 3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-
- IUPAC
- 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-1,4-dihydropyridin-4-yl]phenol
- 英語名
- 3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-
- 分子式
- C22H30FNO2
- 分子量
- 359.48
名称と別名
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-334992-01-7503610-14-83-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-, (aS,4S)- (9CI)503610-18-23-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-, (aR,4R)- (9CI)3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-, (aR,4S)-rel- (9CI)glucagon receptor antagonists-3202917-18-85-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-1,4-dihydropyridin-4-yl]phenolglucagon receptor antagonists-2C22H32FNO2
名称をさらに表示
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-α-methyl-2,6-bis(1-methylethyl)-5-propyl-
(Alphar,4S)-4-(4-fluoro-2-hydroxyphenyl)-alpha-methyl-2,6-bis(1-methylethyl)-5-propyl-3-pyridinemethanolMFCD11616246AKOS040733267DB-0661114-(4-Fluoro-2-hydroxyphenyl)-methyl-2,6-bis(1-methylethyl)-5-propyl-3-pyridinemethanol5-fluoro-2-[3-(1-hydroxyethyl)-2,6-diisopropyl-5-propyl-1,4-dihydropyridin-4-yl]phenol(4s)-4-(4-Fluoro-2-hydroxyphenyl)-methyl-2,6-bis(1-methylethyl)-5-propyl-3-pyridinemethanol(alphaR,4R)-4-(4-Fluoro-2-hydroxyphenyl)-alpha-methyl-2,6-bis(1-methylethyl)-5-propyl-3-pyridinemethanol
データベース識別子
- CAS
334992-01-7- PubChem CID
- 77147236
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 52.5 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 552
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