HCID21967463

(S)-methyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[3-(3-methyl[1,2,4]oxadiazol-5-yl)phenyl]pent-4ynoate

methyl (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pent-4-ynoate

C27H28N2O5460.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C[C@H](C#Cc1cccc(-c2nc(C)no2)c1)c1ccc(OC)c(OC2CCCC2)c1
InChIKey: RRUUHVPVOIYPLH-NRFANRHFSA-N
分子式: C27H28N2O5
平均分子量: 460.5 g/mol
单同位素质量: 460.199822

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 83.7 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 9
重原子: 34
形式电荷: 0
复杂度: 727

ALIASES

名称与别名

共 3 条

SCHEMBL8023863RRUUHVPVOIYPLH-NRFANRHFSA-N(S)-methyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[3-(3-methyl[1,2,4]oxadiazol-5-yl)phenyl]pent-4ynoate

REACTIONS

相关反应

1 条

HRID 1637111 反应方程式

uspto-grants-2000_03 · 10.6084/m9.figshare.5104873.v1 · US06037367