Name: L 646462
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212710212
Cas No:89149-85-9
常用名:L 646462
别名:L-646462, L646462, L-646,462, L646,462, L 646,462
别名:L-646462, L646462, L-646,462, L646,462, L 646,462
IUPAC:(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaene-5-carboxylate
IUPAC:(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaene-5-carboxylate
InChI key:LEHDAQHCDVGZCX-UHFFFAOYSA-N

分子式:C27H27N3O4
分子量:457.53
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:3.3220263
SMILES:[#6]-[#7]-1-[#6]-[#6](=O)-[#7](-[#6]-[#8]-[#6](=O)-c2ccc3-[#6]=[#6]-c4ccccc4\[#6](=[#6]-4/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-4)-c3c2)-[#6]-1=O |c:14|
SMILES:[#6]-[#7]-1-[#6]-[#6](=O)-[#7](-[#6]-[#8]-[#6](=O)-c2ccc3-[#6]=[#6]-c4ccccc4\[#6](=[#6]-4/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-4)-c3c2)-[#6]-1=O |c:14|

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