Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看![5-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide 分子结构式](/api/mol/3013396/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CNC(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
- InChIKey
- KBXRRIUYQIDSON-UHFFFAOYSA-N
- 分子式
- C22H22FN5O5S
- 平均分子量
- 487.5 g/mol
- 单同位素质量
- 487.13256815
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 150 Ų
- 氢键供体
- 3
- 氢键受体
- 9
- 可旋转键
- 5
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 855
ALIASES
名称与别名
CHEMBL245719L-900564SCHEMBL4763498KBXRRIUYQIDSON-UHFFFAOYSA-NBDBM504774225-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide1,6-Naphthyridine-7-carboxamide, N-[[4-fluoro-2-[(methylamino)carbonyl]phenyl]methyl]-8-hydroxy-5-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)-5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluoro-2-(methylcarbamoyl)benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-{4-fluoro-2-[(methylamino)carbonyl]benzyl}-8-hydroxy-1,6-naphthyridine-7-carboxamide606080-42-6
REACTIONS
