HZ166
HIT212712839
sdf文件结构编辑类似物检索
HIT ID: HIT212712839
Cas No: 612527-56-7
分子式: C21H16N4O2
分子量: 356.385
常用名: HZ166
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.9684777
IUPAC: ethyl 12-ethynyl-9-(pyridin-2-yl)-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene-5-carboxylate
IUPAC: ethyl 12-ethynyl-9-(pyridin-2-yl)-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene-5-carboxylate
SMILES: CCOC(=O)c1ncn-2c1CN=C(c1ccccn1)c1cc(ccc-21)C#C |t:12|
SMILES: CCOC(=O)c1ncn-2c1CN=C(c1ccccn1)c1cc(ccc-21)C#C |t:12|
InChI key: ZSEDMNMFODMQRD-UHFFFAOYSA-N
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