HCID136402451

N-{3-[(1S,2R,7S,8R)-3-(4-Fluoro-3-methyl-benzyl)-6-hydroxy-4-oxo-11-oxa-3-aza-tricyclo[6.2.1.02,7]undec-5-en-5-yl]-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide

N-[3-[(1S,2R,7S,8R)-3-[(4-fluoro-3-methylphenyl)methyl]-6-hydroxy-4-oxo-11-oxa-3-azatricyclo[6.2.1.02,7]undec-5-en-5-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide

C25H25FN4O7S2576.6 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Cc1cc(CN2C(=O)C(C3=NS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)=C(O)[C@H]3[C@@H]2[C@@H]2CC[C@H]3O2)ccc1F
InChIKey: NKCYAHRZFGCXPK-MXKPZRPRSA-N
分子式: C25H25FN4O7S2
平均分子量: 576.6 g/mol
单同位素质量: 576.11486966

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 171 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 5
重原子: 39
形式电荷: 0
复杂度: 1,310

ALIASES

名称与别名

共 3 条

SCHEMBL390699NKCYAHRZFGCXPK-MXKPZRPRSA-NN-{3-[(1S,2R,7S,8R)-3-(4-Fluoro-3-methyl-benzyl)-6-hydroxy-4-oxo-11-oxa-3-aza-tricyclo[6.2.1.02,7]undec-5-en-5-yl]-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide

REACTIONS