基本情報
- CAS
853753-21-6- 標準SMILES
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CC3CCCO3)c2=N)cc1C- InChIKey
CRSLXKSPYHQOKI-UHFFFAOYSA-N- 分子式
- C25H26N4O4S
- 平均分子量
- 478.6 g/mol
名称と識別子
- 優先名称
- 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
- IUPAC
- 5-(3,4-dimethylphenyl)sulfonyl-6-imino-11-methyl-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- 英語名
- 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
- 分子式
- C25H26N4O4S
- 分子量
- 478.56
名称と別名
853753-21-63-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-oneMLS000333653CHEMBL1299976HMS2779D08STK931753AKOS002221803AKOS0163039965-(3,4-Dimethylphenyl)sulfonyl-6-imino-11-methyl-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-oneSMR000437722ST50119098AO-022/43453077
名称をさらに表示
5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-[(3,4-dimethylphenyl)sulfonyl]-1,2-dihydro-2-imino-10-methyl-1-[(tetrahydro-2-furanyl)methyl]-
Z3360904143-((3,4-dimethylphenyl)sulfonyl)-2-imino-10-methyl-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one3-(3,4-Dimethyl-benzenesulfonyl)-2-imino-8-methyl-1-(tetrahydro-furan-2-ylmethyl)-1,2-dihydro-1,9,10a-t riaza-anthracen-10-one3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(oxolan-2-ylmethyl)-1,6-d ihydropyridino[2,3-d]pyridino[1,2-a]pyrimidin-5-one3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 112 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 1,190
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