Name: (S)-SBFI-26
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670306
Cas No:1541207-06-0
常用名:(S)-SBFI-26
IUPAC:(1R,2S,3S,4S)-3-[(naphthalen-1-yloxy)carbonyl]-2,4-diphenylcyclobutane-1-carboxylic acid
IUPAC:(1R,2S,3S,4S)-3-[(naphthalen-1-yloxy)carbonyl]-2,4-diphenylcyclobutane-1-carboxylic acid
InChI key:NVOKBONTLOAJKA-CQJMVLFOSA-N

分子式:C28H22O4
分子量:422.48
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:5.858739
SMILES:OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc2ccccc12)c1ccccc1 |wU:5.14,4.29,wD:3.2,6.7,(2.67,8.34,;1.33,7.57,;,8.34,;1.33,6.03,;.24,4.94,;1.33,3.85,;2.42,4.94,;3.96,4.94,;4.73,6.27,;6.27,6.27,;7.04,4.94,;6.27,3.61,;4.73,3.61,;1.33,2.31,;,1.54,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;-1.3,4.94,;-2.07,3.61,;-3.61,3.61,;-4.38,4.94,;-3.61,6.27,;-2.07,6.27,)|
SMILES:OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc2ccccc12)c1ccccc1 |wU:5.14,4.29,wD:3.2,6.7,(2.67,8.34,;1.33,7.57,;,8.34,;1.33,6.03,;.24,4.94,;1.33,3.85,;2.42,4.94,;3.96,4.94,;4.73,6.27,;6.27,6.27,;7.04,4.94,;6.27,3.61,;4.73,3.61,;1.33,2.31,;,1.54,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;-1.3,4.94,;-2.07,3.61,;-3.61,3.61,;-4.38,4.94,;-3.61,6.27,;-2.07,6.27,)|

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