基本情報
- CAS
21321-03-9- 標準SMILES
CCS(=O)(=O)O.Cc1cc(NC(=O)CCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)ccc1S(=O)(=O)F- InChIKey
OGONXIUGGALDIV-UHFFFAOYSA-N- 分子式
- C23H31FN6O6S2
- 平均分子量
- 570.7 g/mol
- 単同位体質量
- 570.17305324
名称と識別子
- 優先名称
- Baker's Antifol
- IUPAC
- 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid
名称と別名
Baker's Antifol21321-03-9NSC 113423NSC113423NSC-113423Benzenesulfonyl fluoride, 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-2-methyl-, monoethanesulfonateBenzenesulfonyl fluoride, 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methyl-, monoethanesulfonateInsoluble baker's antifolCKC9G38CRBDTXSID501755954-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid
名称をさらに表示
1-[((4-Fluorosulfonyl-3-methyl-phenylaminocarbonyl)ethylene)phen-4-1-(4-(N-(3'-Methyl-4'-fluorosulfonyl)phenyl)propanamide)phenyl-4,6- diamino-1,2-dihydro-2,2-dimethyl-s-triazine ethanesulfonate dihydrate4-[[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methylbenzenesulfonyl fluoride monoethanesulfonate4-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride, ethanesulfonic acidBenzenesulfonyl fluoride,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methyl-, monoethanesulfonateEthanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methylbenzenesulfonyl fluoride (1:1)Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamamido]-o-toluenesulfonyl fluoride (1:1)Ethanesulfonic acid--4-{3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}-2-methylbenzene-1-sulfonyl fluoride (1/1)
データベース識別子
- CAS
21321-03-9- PubChem CID
- 64840
- DTXSID
DTXSID50175595- UNII
- CKC9G38CRB
物性
構造計算による物性
- 極性表面積
- 214 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 7
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 966
関連反応
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