Name: NK 1971
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319991
Cas No:35020-81-6
常用名:NK 1971
别名:NK 266 orotate, 2-(2-(3-Heptyl-4-methyl-2-thiazolin-2-ylidene)methine)-3-heptyl-4-methylthiazolium orotate
别名:NK 266 orotate, 2-(2-(3-Heptyl-4-methyl-2-thiazolin-2-ylidene)methine)-3-heptyl-4-methylthiazolium orotate
IUPAC:3-heptyl-2-[(3-heptyl-4-methyl-2,3-dihydro-1,3-thiazol-2-ylidene)methyl]-4-methyl-1,3-thiazol-3-ium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
IUPAC:3-heptyl-2-[(3-heptyl-4-methyl-2,3-dihydro-1,3-thiazol-2-ylidene)methyl]-4-methyl-1,3-thiazol-3-ium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
InChI key:VXRFQUVQNOPKIM-UHFFFAOYSA-M

分子式:C28H42N4O4S2
分子量:562.79
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1.CCCCCCCN1C(C)=CSC1=Cc1scc(C)[n+]1CCCCCCC |w:24.25,c:20|
SMILES:[O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1.CCCCCCCN1C(C)=CSC1=Cc1scc(C)[n+]1CCCCCCC |w:24.25,c:20|

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