Octaaminocryptand 1
HIT212666336
sdf文件结构编辑类似物检索
HIT ID: HIT212666336
Cas No: 135469-17-9
分子式: C36H54N8
分子量: 598.884
常用名: Octaaminocryptand 1
氢键受体数 (HBA): 8
氢键供体数 (HBD): 6
LogP: 2.6210196
IUPAC: 1,4,12,15,18,26,31,39-octaazapentacyclo[13.13.13.1^{6,10}.1^{20,24}.1^{33,37}]tetratetraconta-6,8,10(44),20,22,24(43),33,35,37(42)-nonaene
IUPAC: 1,4,12,15,18,26,31,39-octaazapentacyclo[13.13.13.1^{6,10}.1^{20,24}.1^{33,37}]tetratetraconta-6,8,10(44),20,22,24(43),33,35,37(42)-nonaene
SMILES: C1CN2CCNCc3cccc(CNCCN(CCNCc4cccc(CN1)c4)CCNCc1cccc(CNCC2)c1)c3
SMILES: C1CN2CCNCc3cccc(CNCCN(CCNCc4cccc(CN1)c4)CCNCc1cccc(CNCC2)c1)c3
InChI key: FQRVANUKVUBLEF-UHFFFAOYSA-N
共显示1个结果
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