R1498
HIT212710548
sdf文件结构编辑类似物检索
HIT ID: HIT212710548
Cas No: 303196-31-8
分子式: C18H15ClN4O
分子量: 338.8
常用名: R1498
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 2.9188528
IUPAC: 9-(2-chlorophenyl)-12-methoxy-6-methyl-2,4,5,8-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),2,6,8,10,12-hexaene
IUPAC: 9-(2-chlorophenyl)-12-methoxy-6-methyl-2,4,5,8-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),2,6,8,10,12-hexaene
SMILES: COc1ccc2N=C3NNC(C)=C3N=C(c3ccccc3Cl)c2c1 |c:11,t:6,14|
SMILES: COc1ccc2N=C3NNC(C)=C3N=C(c3ccccc3Cl)c2c1 |c:11,t:6,14|
InChI key: DPNXJZDCWBJDSX-UHFFFAOYSA-N
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