N-[2,3,4,5-Tetrahydro-1-(1H-imidazol-4-yl-methyl)-4-(1-naphthalenylcarbonyl)-1H-1,4-benzodiazepin-8-yl]phenylsulfonamide, dihydrochloride (HCID 178478879)

基本情報

標準SMILES: Cl.Cl.O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2cc(NS(=O)(=O)c3ccccc3)ccc2C1
InChIKey: MXGGIXPZFLAFCN-UHFFFAOYSA-N
分子式: C30H29Cl2N5O3S
平均分子量: 610.6 g/mol
単同位体質量: 609.1368164

名称と識別子

優先名称: N-[2,3,4,5-Tetrahydro-1-(1H-imidazol-4-yl-methyl)-4-(1-naphthalenylcarbonyl)-1H-1,4-benzodiazepin-8-yl]phenylsulfonamide, dihydrochloride
IUPAC: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzenesulfonamide;dihydrochloride

名称と別名

SCHEMBL6635222MXGGIXPZFLAFCN-UHFFFAOYSA-NN-[2,3,4,5-Tetrahydro-1-(1H-imidazol-4-yl-methyl)-4-(1-naphthalenylcarbonyl) -1H-1,4-benzodiazepin-8-yl]phenylsulfonamide, dihydrochlorideN-[2,3,4,5-Tetrahydro-1-(1H-imidazol-4-yl-methyl)-4-(1-naphthalenylcarbonyl)-1H-1,4-benzodiazepin-8-yl]phenylsulfonamide, dihydrochloride

データベース識別子

PubChem CID: 11671676

物性

構造計算による物性

極性表面積: 107 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 6
重原子数: 41
形式電荷: 0
複雑度: 935

化合物ノート

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