R59949
HIT212711223
sdf文件结构编辑类似物检索
HIT ID: HIT212711223
Cas No: 120166-69-0
分子式: C28H25F2N3OS
分子量: 489.58
常用名: R59949
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 4.999959
IUPAC: 3-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
IUPAC: 3-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
SMILES: Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(-9.34,8.47,;-9.34,6.93,;-10.67,6.16,;-10.67,4.62,;-9.34,3.85,;-8,4.62,;-8,6.16,;-9.34,2.31,;-8,1.54,;-8,,;-6.67,-.77,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-5.33,1.54,;-6.67,2.31,;-10.67,1.54,;-10.67,,;-12,-.77,;-13.34,,;-14.67,-.77,;-13.34,1.54,;-12,2.31,)|
SMILES: Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(-9.34,8.47,;-9.34,6.93,;-10.67,6.16,;-10.67,4.62,;-9.34,3.85,;-8,4.62,;-8,6.16,;-9.34,2.31,;-8,1.54,;-8,,;-6.67,-.77,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-5.33,1.54,;-6.67,2.31,;-10.67,1.54,;-10.67,,;-12,-.77,;-13.34,,;-14.67,-.77,;-13.34,1.54,;-12,2.31,)|
InChI key: ZCNBZFRECRPCKU-UHFFFAOYSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
1891-3天 购物车
AA Blocks
BB
-3-5周点击询价
Mcule
SC
4754-5周 购物车
TargetMol | Target Loading
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