uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07777047B2
查看![N-(2-(5-{[1-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl]methyl)-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide 分子结构式](/api/mol/59135724/svg/360x280.svg)
HCID59135724
N-(2-(5-{[1-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl]methyl)-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
N-[2-[5-[[2-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
C22H25N5O3S3503.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CN(c1cccc2cc(C3=NCC(CC4=NN(CCO)CC4)S3)[nH]c12)S(=O)(=O)c1cccs1
- InChIKey
- BZPLPYPFZMOCEB-UHFFFAOYSA-N
- 分子式
- C22H25N5O3S3
- 平均分子量
- 503.7 g/mol
- 单同位素质量
- 503.1119532
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 163 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 8
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 877
ALIASES
名称与别名
N-(2-(5-{[1-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl]methyl)-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl]-N-methylthiophene-2-sulfonamideN-[2-(5-{[1-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl]methyl}-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamideSCHEMBL2668925BZPLPYPFZMOCEB-UHFFFAOYSA-N
REACTIONS
