6-Amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
基本情報
- CAS
445266-62-6- 標準SMILES
COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)ccc1OC(C)C- InChIKey
XINNVFXNJHVGCY-UHFFFAOYSA-N- 分子式
- C25H26N4O3S
- 平均分子量
- 462.6 g/mol
名称と識別子
- 優先名称
- 6-Amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 英語名
- 6-amino-4-[4-[(1-methylethyl)oxy]-3-(methyloxy)phenyl]-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 分子式
- C25H26N4O3S
- 分子量
- 462.56394
名称と別名
445266-62-66-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-3-{[(4-methylphenyl)sulfanyl]methyl}-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-(4-isopropoxy-3-methoxyphenyl)-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carboniAM-807/13614010AKOS003598304AKOS016340448SS-07326-amino-4-(4-isopropoxy-3-methoxyphenyl)-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-Amino-4-(4-isopropoxy-3-methoxyphenyl)-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-[4-[(1-methylethyl)oxy]-3-(methyloxy)phenyl]-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
データベース識別子
- CAS
445266-62-6
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 131 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
- 7
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 745
関連反応
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