L 691816
HIT212710274
sdf文件结构编辑类似物检索
HIT ID: HIT212710274
Cas No: 150461-07-7
分子式: C36H35ClN6OS
分子量: 635.23
常用名: L 691816
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 7.9124913
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
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
InChI key: ZXTQNTHPGKKAHX-UHFFFAOYSA-N
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