基本情報
- CAS
116162-95-9- 標準SMILES
CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CCN1- InChIKey
QXNOSGDKQAIMRL-UHFFFAOYSA-N- 分子式
- C18H23FN4O3
- 平均分子量
- 362.4 g/mol
- 単同位体質量
- 362.17541877
名称と識別子
- 優先名称
- 1-Tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
- 英語名
- 1-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[ 1,8]naphthyridine-3-carboxylic acid
- 分子式
- C18H23FN4O3
- 分子量
- 362.4
名称と別名
116162-95-91-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acidPD 1630481-Tert-Butyl-6-Fluoro-7-(3-Methylpiperazin-1-yl-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acid1-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-(1,8)naphthyridine-3-carboxylic acid1-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid1-tert-butyl-6-fluoro-7-(-3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acidCHEMBL25807SCHEMBL9685551DTXSID809219411-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[ 1,8]naphthyridine-3-carboxyli1-tert-Butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
名称をさらに表示
1-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[ 1,8]naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
物性
構造計算による物性
- XLogP
- 0.9
- 極性表面積
- 85.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 618
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