uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846711B2
查看![6-[(1E)-3-{4-[(4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxoprop-1-en-1-yl]-2-oxo-1,2,3,4-tetrahydro-1,8-naphthyridine-3-carboxamide 分子结构式](/api/mol/52950570/svg/360x280.svg)
HCID52950570
6-[(1E)-3-{4-[(4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxoprop-1-en-1-yl]-2-oxo-1,2,3,4-tetrahydro-1,8-naphthyridine-3-carboxamide
6-[(E)-3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxamide
C24H25FN4O4452.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- NC(=O)C1Cc2cc(/C=C/C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O
- InChIKey
- XRTUEMFKRZPEGQ-LZCJLJQNSA-N
- 分子式
- C24H25FN4O4
- 平均分子量
- 452.5 g/mol
- 单同位素质量
- 452.18598345
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 115 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 747
ALIASES
名称与别名
BDBM9913CHEMBL3676420SCHEMBL12649220XRTUEMFKRZPEGQ-LZCJLJQNSA-N6-[(1E)-3-{4-[(4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxoprop-1-en-1-yl]-2-oxo-1,2,3,4-tetrahydro-1,8-naphthyridine-3-carboxamide
REACTIONS
