基本情報
- CAS
304025-53-4- 標準SMILES
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3c(c2)N(CCNC(C)=O)CCC3)cc1- InChIKey
YKAHCPSTICMMFK-ILFWFZRHSA-N- 分子式
- C36H47N3O5
- 平均分子量
- 601.8 g/mol
名称と識別子
- 優先名称
- Acetamide,N-[2-[3,4-dihydro-7-[[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-piperidinyl]oxy]methyl]-1(2H)-quinolinyl]ethyl]-
- IUPAC
- N-[2-[7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
名称と別名
Ro-66-1168304025-53-4Acetamide,N-[2-[3,4-dihydro-7-[[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-piperidinyl]oxy]methyl]-1(2H)-quinolinyl]ethyl]-CHEMBL1276275Acetamide, N-[2-[3,4-dihydro-7-[[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-piperidinyl]oxy]methyl]-1(2H)-quinolinyl]ethyl]-CCK8K6BYQ5SCHEMBL5556763SCHEMBL29413132YKAHCPSTICMMFK-ILFWFZRHSA-NBDBM50330345(3R,4R)-N-[2-[7-[4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidin-3-yloxymethyl]-3,4-dihydro-2H-quinolin-1-yl]-ethyl]-acetamideN-(2-(7-(((3R,4R)-4-(4-(3-((2-METHOXYPHENYL)METHOXY)PROPOXY)PHENYL)PIPERIDIN-3-YL)OXYMETHYL)-3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHYL)ETHANAMIDE
名称をさらに表示
N-(2-(7-(((3R,4R)-4-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)piperidin-3-yloxy)methyl)-3,4-dihydroquinolin-1(2H)-yl)ethyl)acetamideN-[2-[3,4-Dihydro-7-[[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-piperidinyl]oxy]methyl]-1(2H)-quinolinyl]ethyl]acetamide
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 81.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 15
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 824
関連反応
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化合物ノート
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