Name: TC OT 39
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212709372
Cas No:479232-57-0
常用名:TC OT 39
IUPAC:(Z,2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[(2-methyl-4-{4-methyl-2,4,5,9-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),5,10,12-pentaene-9-carbonyl}phenyl)methyl]pyrrolidine-1-carboximidic acid
IUPAC:(Z,2S)-2-(4-methyl-1,4-diazepane-1-carbothioyl)-N-[(2-methyl-4-{4-methyl-2,4,5,9-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),5,10,12-pentaene-9-carbonyl}phenyl)methyl]pyrrolidine-1-carboximidic acid
InChI key:KSNHHKZYKYNBEI-NDEPHWFRSA-N

分子式:C32H40N8O2S
分子量:600.79
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:1.4527404
SMILES:[H][C@]1(CCCN1\C(O)=N\Cc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12)C(=S)N1CCCN(C)CC1
SMILES:[H][C@]1(CCCN1\C(O)=N\Cc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12)C(=S)N1CCCN(C)CC1

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