Name: L 691816
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212710274
Cas No:150461-07-7
常用名:L 691816
别名:L-691816, L691816, L-691,816, L691,816, L 691,816
别名:L-691816, L691816, L-691,816, L691,816, L 691,816
IUPAC:2-[(4-chlorophenyl)methyl]-3-[2,2-dimethyl-3-(1H-1,2,3,4-tetrazol-5-yl)propyl]-6-methyl-9-[(5-phenylpyridin-2-yl)methoxy]-5-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),3,8(12),9-tetraene
IUPAC:2-[(4-chlorophenyl)methyl]-3-[2,2-dimethyl-3-(1H-1,2,3,4-tetrazol-5-yl)propyl]-6-methyl-9-[(5-phenylpyridin-2-yl)methoxy]-5-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),3,8(12),9-tetraene
InChI key:ZXTQNTHPGKKAHX-UHFFFAOYSA-N

分子式:C36H35ClN6OS
分子量:635.23
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:7.9124913
SMILES:CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
SMILES:CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23

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